data_5nq4_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 5nq4 _Structure_validation_residue.Date_analyzed 2017-12-08 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 ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -95.31 120.06 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.5 m -113.31 156.8 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.487 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.6 m-20 -102.54 171.46 7.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.03 -145.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.613 HD13 HH12 ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.67 -54.59 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.8 t -95.91 138.83 21.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.204 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 47.26 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -122.69 -42.01 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.464 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -107.53 125.17 50.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.487 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 41.2 p90 -153.1 154.39 34.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -142.32 -168.65 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -95.01 144.42 25.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.9 m -117.59 80.65 13.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -75.04 -43.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 17' ' ' GLY . 38.4 tt0 -40.18 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.61 47.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.078 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 14' ' ' CYS . 3.3 mttp -138.58 133.6 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -144.82 15.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 75.7 mt -145.76 153.75 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -119.28 148.02 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 108.384 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 2.1 p90 -138.83 156.6 47.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -141.27 129.53 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.612 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 2.4 mtp -101.05 124.34 46.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.0 m-85 -108.34 144.58 35.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -84.39 135.56 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' MET . 48.0 mmm 62.69 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.5 m -124.55 161.88 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -90.05 -33.46 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.07 -50.33 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 65.8 p -70.02 174.5 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -61.27 150.31 80.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 24' ' ' MET . 2.2 m -115.12 -41.76 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 164.7 33.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.613 HH12 HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -166.39 153.34 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.2 -172.3 29.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 m -97.71 160.45 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.4 tt -165.49 161.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -96.54 -32.86 12.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.7 140.78 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.84 126.42 91.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 108.307 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.66 3.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 47.0 mtmt -75.54 130.74 39.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.56 128.19 34.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -93.31 163.49 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.926 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -29.24 22.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -50.84 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -114.69 136.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -84.79 133.81 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.055 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.612 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-30 -104.53 128.71 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.49 118.13 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.181 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -108.02 155.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.5 168.17 28.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 108.342 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 6.4 p30 -132.41 27.47 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.0 p -116.54 141.99 47.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -63.53 129.48 40.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 65.65 34.75 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.226 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 56' ' ' THR . 14.5 p -75.68 -33.13 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -116.18 121.19 41.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -112.13 145.24 40.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.485 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -95.15 165.77 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CE ' ' HB2' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -84.98 -153.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.445 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 2.7 tp -54.34 -43.57 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.5 t -101.43 136.25 19.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 46.79 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -120.63 -47.83 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . . . -104.59 129.46 52.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CZ ' ' HD3' ' A' ' 58' ' ' ARG . 37.5 p90 -154.73 154.42 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -142.95 -179.52 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.93 143.86 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.0 m -117.88 80.43 14.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.07 -42.22 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 6.6 mm-40 -38.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.19 46.24 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 18.2 mttt -140.43 137.58 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -145.53 16.18 1.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 59.1 mt -146.44 158.19 43.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.6 m -121.82 154.01 37.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 3.0 p90 -145.56 151.39 38.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.694 ' HZ3' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.26 126.85 21.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.628 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 26.1 mtm -96.94 130.12 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.639 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 86.6 m-85 -115.38 146.92 41.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.532 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -86.96 128.87 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.3 mtm 60.77 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' MET . 33.3 p -108.32 157.52 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -93.62 -42.07 9.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ASP . 15.8 mt -40.36 -52.85 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' ASP . 59.4 p -61.43 179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.97 142.22 98.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.639 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.8 Cg_endo -74.92 171.48 18.21 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.532 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 17.9 m -94.91 -35.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' CG ' ' HE1' ' A' ' 24' ' ' MET . 11.1 ptmt -170.23 172.04 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -164.33 154.99 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.49 -164.66 15.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.5 m -106.38 157.25 17.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 tt -161.12 166.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -96.66 -37.74 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.249 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.99 138.26 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.09 121.17 74.94 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 169.44 22.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 132.33 42.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.4 166.45 23.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.9 p -120.53 178.88 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 -9.81 32.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.17 -55.77 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.83 136.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.34 137.95 32.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 0.0 109.208 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -109.5 123.03 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.36 114.68 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.7 161.35 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 1.7 p -155.0 172.22 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 27.5 p-10 -143.76 21.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.466 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -117.63 122.31 43.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 1' ' ' LEU . 11.3 m-20 -45.16 124.96 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.497 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 1.7 mtm105 75.47 30.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.466 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 17.6 p -75.63 -38.17 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.251 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.694 ' HA ' ' HZ3' ' A' ' 23' ' ' LYS . 43.3 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.454 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.1 OUTLIER -109.32 144.98 36.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.386 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -145.43 159.23 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.45 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 1.4 m-80 -91.99 167.96 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.81 -141.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 2.4 tp -57.59 -24.09 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.1 t -124.8 139.25 32.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.2 Cg_endo -74.92 47.41 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 tp -123.74 -56.92 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.505 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -93.9 108.36 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.4 p90 -134.45 151.02 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -144.42 -178.67 6.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.454 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -84.82 147.65 26.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.5 m -117.74 78.2 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 108.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.8 mt-10 -40.25 93.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 25.98 48.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.6 mttt -139.87 145.77 38.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -147.32 -39.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.438 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 80.2 mt -92.2 164.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.19 160.86 34.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -144.59 159.52 42.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HE2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -143.15 119.9 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CD1' ' A' ' 51' ' ' TYR . 35.6 mtm -91.68 128.55 37.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.631 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 93.1 m-85 -116.43 145.98 42.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.498 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.99 133.77 34.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' MET . 12.8 mtt 62.2 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -123.23 161.04 25.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -86.6 -32.24 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -44.4 -36.76 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.5 p -82.79 172.16 13.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.86 148.11 77.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.631 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.96 166.39 29.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 8.6 m -101.33 -35.26 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -157.81 165.91 34.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 1.5 ptt180 -165.91 152.44 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.34 -172.25 32.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.19 151.05 20.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -154.33 162.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -99.42 -30.88 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.79 134.75 53.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.63 119.46 57.44 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 108.36 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.81 132.63 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.506 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 33.7 t30 -74.78 149.75 39.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.3 p -105.27 154.34 20.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -12.43 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.62 -43.91 8.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.7 t -121.65 138.83 50.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.8 tptp -86.36 132.48 33.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 3.8 m-30 -105.66 114.45 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.58 114.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.3 m -97.07 169.55 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 p -157.41 172.76 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.273 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 40.6 p30 -144.51 18.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 31.7 p -119.09 145.75 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' N ' ' CD2' ' A' ' 1' ' ' LEU . 15.2 m-20 -61.02 136.87 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 63.52 30.83 15.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.425 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 24.1 p -75.38 -18.61 59.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.445 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 35.7 p-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -103.84 119.3 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' CA ' ' A' ' 11' ' ' TYR . 3.6 m -102.45 154.99 18.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 43.4 m-20 -83.23 154.99 23.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' CD ' ' HB1' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -151.01 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.452 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 9.4 tt -49.82 -40.0 40.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.5 t -108.12 140.4 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 47.38 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -127.04 -48.26 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HB1' ' CD ' ' A' ' 5' ' ' LYS . . . -104.04 136.31 43.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.541 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 1.1 p90 -134.67 144.86 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 164.8 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.23 125.09 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.498 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' O ' ' A' ' 18' ' ' LYS . 74.2 m -118.04 80.05 14.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.1 Cg_endo -75.02 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.0 mp0 -38.04 90.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.97 48.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.5 mttm -136.48 72.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -93.44 0.03 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -117.26 154.27 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.2 p90 -142.33 160.58 39.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.89 129.37 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.576 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -101.55 121.34 41.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 91.1 m-85 -107.83 136.97 46.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -84.71 126.11 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.948 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' SER . 4.6 mtt 43.54 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.4 t 91.37 150.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -96.67 -36.12 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.8 mt -42.3 -45.84 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 1.058 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' ASP . 68.5 p -63.88 172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -67.93 152.38 96.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.373 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.726 ' HB2' HH12 ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.95 159.57 41.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 32.6 m -113.73 -38.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 1.6 pttt -144.11 159.26 42.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.726 HH12 ' HB2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -166.48 175.1 8.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.31 -177.92 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.71 164.3 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 tt -165.89 177.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 10.5 p-10 -110.55 -37.87 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 146.07 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.26 119.96 60.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.293 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.34 12.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -71.18 127.85 33.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 46' ' ' SER . 60.1 t-20 -75.06 147.5 40.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 63.3 p -106.82 158.76 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.4 -30.6 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.65 -53.74 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -108.73 135.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -86.13 129.93 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-30 -100.94 137.05 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -139.49 115.76 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.6 m -100.47 168.46 9.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 108.263 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -164.25 172.67 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -141.61 17.71 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 9.9 p -116.19 128.61 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -50.95 128.75 22.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 72.42 29.69 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 12.7 p -74.9 -44.14 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -123.25 122.84 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -113.82 149.26 35.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.412 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -102.7 169.37 8.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -89.86 -161.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.42 -33.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.0 t -111.09 129.8 23.62 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 47.1 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 tp -120.28 -40.08 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.41 124.5 49.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.412 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 14.2 p90 -142.79 157.78 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 174.73 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.462 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -85.96 142.84 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.7 m -119.9 75.74 21.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.97 -45.28 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -35.48 94.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.4 45.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.9 mttp -140.96 135.79 31.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 0.765 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -145.9 18.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.8 mt -145.05 153.84 41.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -121.59 153.87 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.351 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.536 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 2.6 p90 -143.07 152.09 41.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 128.52 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.626 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 44.9 mtm -97.41 127.1 43.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.638 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.7 m-85 -113.12 144.55 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.486 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.8 ttt -83.94 134.91 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 63.07 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -124.88 162.42 24.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -87.05 -35.12 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -42.61 -45.6 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.9 p -72.39 171.72 11.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.47 149.49 77.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.638 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.01 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 5.9 m -107.7 -38.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.56 171.16 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.461 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 5.7 ptp180 -165.5 165.91 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.346 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.65 -179.41 43.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 m -93.65 160.53 14.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -164.82 167.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -106.76 -29.04 9.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.17 131.5 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.08 120.64 68.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 108.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.16 18.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.569 1.826 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -74.69 128.21 35.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -75.19 165.65 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -126.02 -173.03 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -12.22 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.66 -53.54 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -122.23 138.77 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -87.6 135.28 33.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-30 -105.8 127.1 52.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.571 1.169 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.93 114.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.6 m -101.7 162.92 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.6 172.15 18.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.617 1.198 . . . . 0.0 108.289 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -137.66 23.35 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.449 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 9.9 p -124.12 141.74 51.8 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.53 136.22 57.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 65.07 27.57 12.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.375 1.047 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.449 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -75.47 -20.73 58.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' C ' ' NH2' ' A' ' 36' ' ' ARG . 47.9 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 24.1 tp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -117.57 144.23 45.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 1.2 m-20 -89.08 166.2 14.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -90.81 -152.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.15 -37.66 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 9' ' ' ILE . 79.0 t -107.36 133.84 20.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 47.05 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 ' CG1' ' A' ' 7' ' ' VAL . 3.9 tp -122.73 -45.77 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.82 134.25 50.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 30.6 p90 -147.03 146.31 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -123.42 167.37 13.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.45 ' CG2' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.83 131.38 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.398 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.9 m -119.38 77.13 18.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.98 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 17' ' ' GLY . 42.3 tt0 -38.15 91.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.19 52.7 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 111.078 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 8.7 mttm -144.93 65.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -94.54 28.95 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.1 mt -144.8 128.38 17.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.449 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 5.6 m -103.23 154.97 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 7.5 p90 -145.41 153.5 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.11 118.31 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.588 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.32 127.86 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 90.2 m-85 -112.77 146.75 38.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' SER . 2.3 ttp -83.57 136.71 34.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.6 mtp 62.32 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -123.98 165.22 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.22 -35.9 14.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.99 -49.47 4.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 p -65.62 178.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.62 150.16 97.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 169.81 21.79 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.446 1.761 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 11.8 m -115.36 -39.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -145.7 150.25 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -167.31 146.28 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.43 -162.14 13.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -97.73 162.16 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.39 177.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 51.8 t0 -107.91 -51.33 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 42' ' ' CYS . 84.8 t -121.26 138.79 50.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' N ' HG11 ' A' ' 41' ' ' VAL . 14.6 t -64.86 121.66 74.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.87 15.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -68.07 129.21 39.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.537 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 47.4 t-20 -75.21 131.28 40.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.8 p -87.46 165.66 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.536 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -86.04 -30.37 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.14 -49.24 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.93 135.78 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 131.39 34.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -103.88 119.85 39.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.59 110.99 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.8 m -100.16 161.48 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 108.214 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.99 168.01 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -133.87 17.31 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.465 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 8.6 p -115.31 140.62 48.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.93 137.33 58.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 63.42 28.17 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.465 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -74.83 -36.81 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 49.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -123.73 122.08 37.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -113.73 144.5 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.532 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -92.75 178.97 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -96.33 -150.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 6' ' ' LEU . 1.2 tm? -59.34 -33.2 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.7 t -114.43 136.87 22.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 47.66 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 tp -121.32 -43.21 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.71 118.67 35.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 31.4 p90 -144.17 157.05 44.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 -175.71 4.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -88.63 145.98 25.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.6 m -117.04 80.85 11.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.93 -44.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.506 ' O ' ' C ' ' A' ' 17' ' ' GLY . 41.0 mt-10 -40.85 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.35 45.83 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mttp -137.36 146.28 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 1' ' ' LEU . 16.4 t30 -147.41 -39.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 79.3 mt -91.64 159.59 15.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.4 m -125.41 156.45 38.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 108.262 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.8 p90 -144.77 156.28 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 14.3 pttt -145.78 113.88 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.577 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -85.77 134.77 33.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 41.6 m-85 -122.99 148.42 45.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.511 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -90.78 129.71 36.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.941 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' MET . 17.6 mtp 38.17 95.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' MET . 19.5 m 66.19 127.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.467 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -67.22 -23.03 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.9 mt -40.69 -53.34 2.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ASP . 60.4 p -69.99 175.74 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.86 147.96 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.99 168.32 25.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.3 m -97.83 -41.6 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 18.1 tttm -166.25 168.48 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -158.87 161.4 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . -170.05 -171.39 35.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.591 1.182 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -100.15 152.3 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -155.34 157.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.89 -32.07 17.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.43 135.72 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -64.88 121.79 75.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.572 1.828 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -65.24 129.12 38.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.522 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 31.0 t-20 -75.31 132.71 41.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -89.36 162.38 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -28.86 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.31 -51.41 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.4 136.27 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -84.59 132.11 34.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -104.75 103.45 13.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.4 t -105.17 105.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -94.34 169.11 10.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -162.14 174.8 12.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 108.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 38.4 p-10 -146.17 20.14 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 16.4 p -118.33 140.29 50.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 12.1 m-20 -59.74 126.29 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 6.5 mtm180 77.41 26.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.42 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.7 p -75.42 -39.58 58.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.375 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.466 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 1.6 mtpt -105.24 140.71 37.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.7 m -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 108.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.461 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 8.1 m-80 -92.69 164.99 13.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.383 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.43 -143.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -39.24 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 9' ' ' ILE . 53.1 t -111.11 136.54 20.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.05 46.95 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.468 HG21 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -119.96 -41.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -111.1 126.24 54.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.406 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 24.0 p90 -144.49 152.1 40.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.4 171.82 13.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.466 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -84.49 137.37 33.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' LYS . 37.6 m -118.48 77.06 13.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.253 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.597 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.1 Cg_endo -75.1 -47.88 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 21.3 tt0 -36.45 89.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 23.2 49.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' GLU . 34.4 mttm -140.91 70.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -92.71 23.25 4.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 49.2 mt -138.36 151.69 47.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 64.3 m -126.69 157.78 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.54 155.87 43.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.38 119.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.611 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 35.7 mtm -94.33 126.43 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 88.4 m-85 -112.75 146.42 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.482 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -83.51 134.99 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.87 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -117.62 167.66 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -95.32 -33.97 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.4 mt -44.91 -37.88 4.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ASP . 70.1 p -78.06 174.83 10.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.11 148.6 95.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.8 m -111.15 -34.55 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 5.8 tptm -152.4 155.57 37.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -166.42 141.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.71 -168.09 19.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -94.77 162.1 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 tt -165.46 176.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -109.94 -46.77 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.67 137.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.4 121.85 78.84 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 170.54 20.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 130.95 44.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 28.6 t30 -75.71 139.42 41.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 60.3 p -94.58 170.78 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -29.3 19.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.94 -55.71 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -105.8 136.59 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -84.77 132.81 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.06 117.98 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.12 112.79 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.369 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.1 m -96.25 159.84 14.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 108.347 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 p -154.88 169.21 24.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.312 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.464 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 10.7 p-10 -147.44 37.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.083 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.449 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 17.0 p -130.82 145.46 51.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.76 124.61 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 73.48 32.45 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.351 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 21.4 p -76.7 -44.18 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.328 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.0 p-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -94.93 123.1 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -114.73 152.54 31.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -96.47 166.91 11.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.79 -146.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 tp -53.54 -45.64 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.4 t -107.37 137.82 19.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 46.66 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -120.69 -36.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.495 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.69 126.09 51.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -141.52 147.6 38.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CE ' ' O ' ' A' ' 13' ' ' THR . 7.9 ptmt -122.15 179.89 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.474 ' O ' ' CE ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -99.34 131.41 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.379 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LYS . 68.1 m -119.87 76.82 21.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.95 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.6 mt-10 -37.81 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.68 51.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 14' ' ' CYS . 10.2 mtmt -145.24 64.25 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -93.92 29.52 2.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 64.8 mt -142.8 124.17 14.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -99.41 155.44 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CD2' ' HE1' ' A' ' 24' ' ' MET . 4.7 p90 -144.29 155.11 43.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.49 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -142.97 124.66 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.597 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -99.37 126.28 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 92.4 m-85 -111.66 145.92 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.02 135.13 34.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.384 1.052 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.7 mtt 62.87 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.2 t -121.96 165.25 16.27 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.462 1.101 . . . . 0.0 109.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.29 -36.09 14.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -42.06 -45.82 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.4 p -67.29 -178.44 0.83 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -71.95 151.03 92.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 155.42 43.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 3.2 m -95.89 -39.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.89 159.98 44.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.43 152.77 8.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.95 -166.91 25.75 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -96.55 161.06 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.9 tt -165.09 176.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.227 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 4.3 t0 -105.36 -46.21 4.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.8 t -129.14 143.94 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.88 125.08 89.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.256 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.56 2.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mtmt -74.91 132.55 41.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.29 126.43 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' VAL . 72.4 p -90.23 151.62 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.81 58.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -48.49 22.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.3 t -118.02 136.96 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -84.35 133.89 34.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-30 -104.44 129.74 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -134.31 117.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -108.09 161.39 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.65 169.4 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 14.2 p-10 -136.88 30.93 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 7.8 p -129.92 147.41 51.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -61.19 141.38 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mtm105 52.49 34.16 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.472 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.4 p -76.0 -37.33 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.6 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -118.75 125.49 49.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 m -117.79 143.07 46.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.42 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.1 m-20 -96.29 172.95 7.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.95 -150.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.466 ' CB ' ' NH2' ' A' ' 36' ' ' ARG . 6.9 tt -51.22 -48.63 62.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.3 t -101.1 136.22 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 47.3 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.75 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -119.72 -45.09 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.95 129.21 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 27.2 p90 -146.7 153.45 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 172.81 9.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.414 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -94.06 133.1 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' LYS . 89.1 m -118.71 78.85 15.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.555 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.94 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -39.89 91.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.75 49.78 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 14' ' ' CYS . 11.0 mtpt -138.5 66.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -93.77 26.33 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 36.3 mt -145.14 129.09 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 28.0 m -104.82 153.56 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.1 p90 -145.22 153.63 41.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 126.75 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.405 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 47.5 mtp -96.17 118.09 32.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.606 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 96.3 m-85 -107.98 139.13 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' SER . 2.4 ttm -90.9 140.73 29.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 26' ' ' MET . 18.3 mmm 65.23 -64.82 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 0.0 111.09 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -141.42 160.63 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -88.66 -31.83 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.86 -46.94 5.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.3 p -72.13 178.21 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.02 152.47 96.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.98 152.27 40.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 16.0 m -95.11 -33.47 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 3.0 ptmm? -155.69 163.84 39.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' NH2' ' CB ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.67 172.02 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.78 -178.92 47.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 m -94.78 162.61 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.9 tt -165.45 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -105.93 -36.27 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.32 154.12 36.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.99 120.17 64.6 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.19 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -64.63 -174.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -163.12 124.67 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -104.45 171.59 7.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.997 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -17.53 56.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -56.43 4.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 4.9 t -114.95 129.32 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -84.47 126.47 33.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 5.2 m-85 -100.25 124.97 46.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.4 t -122.52 126.51 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.87 155.74 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 108.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 174.59 14.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -140.17 20.24 2.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.397 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.476 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.7 p -114.21 138.04 50.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.451 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -61.68 127.41 31.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 73.9 28.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 56' ' ' THR . 23.3 p -75.04 -37.36 61.75 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 35.8 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -100.42 119.76 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -107.96 150.27 27.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.425 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 21.4 m-20 -93.84 162.21 14.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.485 ' CD ' ' HB1' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -150.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -33.83 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -113.78 138.43 22.7 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 47.5 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.561 1.822 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.79 -52.93 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB1' ' CD ' ' A' ' 5' ' ' LYS . . . -103.3 132.87 49.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.425 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 12.1 p90 -141.77 155.13 45.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 172.0 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.87 129.69 44.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.0 m -118.1 79.97 14.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.254 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.559 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.99 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.8 mm-40 -38.71 90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.15 48.95 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -135.97 72.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.403 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 27.9 t30 -93.05 -2.84 55.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -114.47 137.8 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 15.4 m -114.89 150.28 35.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.482 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 5.6 p90 -138.6 156.88 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -140.6 126.44 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -97.67 123.16 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.8 m-85 -109.41 143.55 38.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.6 ttt -84.61 136.16 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' MET . 7.0 mtt 63.84 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -125.43 163.05 23.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -89.63 -36.64 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.62 -38.77 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' ASP . 40.4 p -74.16 172.6 11.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 33' ' ' PRO . 1.1 mp -64.42 151.18 91.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.89 152.72 41.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 11.5 m -100.54 -40.81 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 167.17 26.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.12 -176.4 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.466 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 174.67 178.22 44.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -94.72 160.29 14.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.67 178.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.97 -36.28 4.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.14 141.75 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.05 118.6 50.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.24 20.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.99 131.97 41.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 57.1 t30 -75.42 167.35 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -119.14 176.25 5.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.563 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -95.91 0.49 52.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.75 -48.3 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -116.73 136.96 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -86.25 137.18 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -108.54 128.9 55.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.6 t -132.29 117.57 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 m -103.16 166.83 10.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -160.26 172.35 17.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 108.347 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -140.7 26.78 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -125.35 141.27 52.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.68 131.42 49.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 70.03 28.35 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 56' ' ' THR . 30.9 p -75.21 -44.66 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.37 123.34 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.29 155.32 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.526 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -101.03 173.88 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.53 -154.68 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' N ' HH22 ' A' ' 36' ' ' ARG . 2.3 tp -54.03 -39.38 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.06 135.16 19.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 47.36 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG21 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -122.47 -42.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -109.4 128.08 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.526 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 43.5 p90 -152.88 154.1 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.36 -165.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.419 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -97.14 143.99 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 21.4 m -118.0 78.88 13.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 108.364 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -75.03 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 30.1 mt-10 -42.09 93.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 30.89 42.54 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.0 mttp -132.32 143.57 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -145.86 -42.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 97.7 mt -93.94 166.85 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.421 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.5 m -129.53 151.42 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 4.3 p90 -138.97 157.67 45.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -139.99 126.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.591 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 2.3 mtp -96.46 123.33 40.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 84.2 m-85 -111.42 144.93 39.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.569 ' O ' ' C ' ' A' ' 27' ' ' MET . 1.2 ttt -91.56 120.89 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.598 ' O ' ' CB ' ' A' ' 28' ' ' SER . 43.4 mmm 23.09 57.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 27' ' ' MET . 3.1 p 150.23 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.546 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -82.48 -44.04 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -41.16 -54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.3 p -59.51 173.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.88 149.35 90.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.08 153.33 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 34.6 m -93.72 -34.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.16 164.47 37.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.546 HH22 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -167.1 177.39 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.76 178.7 44.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.58 1.175 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -94.83 156.58 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 tt -161.65 161.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.91 -32.68 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.34 140.95 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.62 120.56 66.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.283 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 168.95 23.69 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.772 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -73.91 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 50.5 t30 -74.78 166.36 23.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.7 p -119.41 176.89 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.57 -6.35 49.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.6 -59.34 1.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -105.57 133.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -85.33 135.88 33.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -106.71 131.78 53.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.06 113.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.05 164.15 12.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.293 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.89 169.11 24.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.409 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 17.2 p-10 -136.4 22.49 3.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.427 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -123.24 147.35 47.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' N ' ' CD2' ' A' ' 1' ' ' LEU . 32.6 m-20 -60.48 141.75 56.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 53.84 33.96 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.449 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 21.3 p -75.73 -38.54 58.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 32.8 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.471 HD21 ' CA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -95.5 119.28 33.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.27 149.27 32.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.255 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.443 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -94.88 170.32 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -95.42 -156.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' N ' HH22 ' A' ' 36' ' ' ARG . 3.4 tt -51.49 -36.61 45.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.3 t -107.77 132.36 21.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 47.23 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -121.99 -46.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.483 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.75 128.05 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.435 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 17.5 p90 -141.87 149.93 40.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.6 -174.03 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.461 ' CG2' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -102.69 135.64 43.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 18' ' ' LYS . 93.6 m -120.59 76.68 27.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.271 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.583 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.99 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.551 ' O ' ' C ' ' A' ' 17' ' ' GLY . 67.3 tt0 -37.85 90.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.72 48.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.57 1.168 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.0 mttm -139.27 68.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -93.43 28.97 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.4 mt -145.73 127.73 15.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -102.36 147.92 26.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.8 p90 -143.34 155.74 44.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.9 131.08 19.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.595 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -95.79 130.42 42.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' ' HG3' ' A' ' 23' ' ' LYS . 97.4 m-85 -113.66 140.12 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -90.03 124.19 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.559 ' O ' ' CB ' ' A' ' 28' ' ' SER . 91.1 mtp 41.56 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.3 p 89.76 154.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -104.91 -35.95 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.377 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.1 mt -42.34 -45.94 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' ASP . 67.2 p -67.12 171.9 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -66.12 152.36 94.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.06 167.46 26.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 2.5 m -110.18 -35.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -154.52 167.28 30.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.37 177.59 6.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.29 179.15 45.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -94.88 163.86 13.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 tt -165.47 176.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.79 -34.11 8.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.6 144.4 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.24 119.43 55.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.28 27.39 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -71.05 128.82 37.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 46' ' ' SER . 48.0 t30 -74.7 166.36 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.6 p -115.87 179.87 3.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.66 -14.35 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.76 -52.47 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -108.47 137.46 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 139.46 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.595 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -110.43 126.99 54.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.5 t -127.01 113.48 32.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 m -105.46 157.88 17.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.56 165.05 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.66 34.17 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.6 p -130.23 145.8 51.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.57 138.93 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 57.64 30.44 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 56' ' ' THR . 21.6 p -75.01 -35.41 61.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.496 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 48.5 p-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.633 1.208 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 33.9 mtpt -104.48 144.43 31.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 96.0 m -145.18 158.33 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.343 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.435 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 1.4 m-80 -92.17 165.9 12.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.36 -139.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.11 -38.43 76.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 67.7 t -107.55 136.02 19.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.0 Cg_endo -75.0 46.8 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -124.11 -42.84 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -105.4 125.18 50.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 45.0 p90 -148.81 153.37 38.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -144.94 -177.11 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.472 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.77 146.2 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.0 m -117.63 76.93 10.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.01 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.569 1.826 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 mt-10 -39.15 92.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.28 48.76 0.03 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' GLU . 64.5 mttt -140.08 145.27 37.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -146.95 -38.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 72.8 mt -91.74 163.92 13.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -129.61 157.74 41.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 108.249 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 12.8 p90 -143.35 158.14 43.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.13 117.88 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 51' ' ' TYR . 24.2 mtm -87.99 130.08 35.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 33.6 m-85 -118.74 140.39 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.503 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.1 ttt -87.89 126.39 35.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 46.53 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.5 m 65.02 148.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -93.45 -20.94 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -45.22 -28.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.6 p -94.73 172.41 8.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -62.51 150.65 85.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.614 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 -179.82 5.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 8.5 m -117.07 -35.0 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -151.32 162.81 40.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG3' ' ND2' ' A' ' 60' ' ' ASN . 7.8 ptp180 -166.56 131.1 2.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.87 -171.39 14.61 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 m -98.78 151.73 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 tt -154.64 162.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -97.11 -31.77 12.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -136.55 135.66 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.61 119.28 58.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.86 15.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.58 130.02 39.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 46' ' ' SER . 31.6 t30 -74.71 147.73 41.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.9 p -91.0 171.19 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -25.2 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 -49.69 6.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.254 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -102.44 158.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' CD ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -112.69 132.18 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.5 m-30 -102.57 115.92 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.452 HG22 ' CD ' ' A' ' 50' ' ' LYS . 2.5 t -116.02 110.58 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.9 m -94.44 165.07 12.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -157.78 173.84 16.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.405 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 28.8 p30 -144.61 17.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 67.4 p -111.22 138.07 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' N ' ' CD2' ' A' ' 1' ' ' LEU . 5.6 m-20 -61.58 122.08 14.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 29.8 mtp180 80.87 30.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 56' ' ' THR . 16.8 p -75.08 -41.92 57.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.4 p-10 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 13.4 mtmm -103.17 147.96 26.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -145.46 158.67 43.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.486 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 47.0 m-80 -90.53 169.76 10.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -142.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -26.17 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -125.72 136.27 28.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.1 Cg_endo -75.03 46.75 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.754 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 tp -122.0 -36.01 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.49 118.61 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.416 ' HB3' ' CG ' ' A' ' 4' ' ' ASN . 30.7 p90 -136.32 145.38 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.81 174.62 9.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.509 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -85.12 144.57 28.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.3 m -117.88 76.85 11.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.341 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -75.09 -45.21 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 17' ' ' GLY . 20.8 tt0 -37.98 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 26.06 46.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' GLU . 33.8 mttt -140.52 146.54 38.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 1' ' ' LEU . 13.4 t-20 -147.07 -37.04 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.5 mt -91.21 161.29 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -130.63 159.23 37.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 17.2 p90 -144.48 154.49 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -138.98 122.5 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.585 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.09 131.92 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 95.8 m-85 -116.64 145.8 43.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.505 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.2 ttp -83.52 134.99 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.5 mmt 62.32 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' MET . 23.2 m -125.9 159.11 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -82.85 -31.68 27.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -45.95 -28.73 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.7 p -91.18 173.49 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.41 148.73 79.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 160.52 40.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 3.7 m -94.65 -33.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.21 168.71 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -164.28 148.98 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.7 -175.56 27.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -97.79 149.76 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tt -154.04 167.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.96 -32.16 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.607 1.192 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.9 p -132.85 137.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -65.9 120.79 71.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.44 20.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -75.12 131.22 40.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 50' ' ' LYS . 41.3 t30 -74.97 165.64 24.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -120.88 176.35 5.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.056 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -92.38 -11.0 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -95.16 -55.9 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.57 137.97 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.5 tptt -87.65 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.83 122.26 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -126.71 119.65 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.3 m -99.41 169.18 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 2.2 p -158.68 173.99 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -149.79 21.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.443 ' CA ' HD11 ' A' ' 1' ' ' LEU . 69.7 p -119.61 143.97 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' N ' HD12 ' A' ' 1' ' ' LEU . 15.8 m-20 -60.55 128.21 35.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 71.37 33.0 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.323 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.8 p -74.53 -44.77 49.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 40.4 p-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -99.41 125.49 45.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.1 m -109.44 148.96 30.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 31.1 m-20 -93.79 165.79 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.464 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -95.19 -151.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.78 -32.75 63.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -115.38 135.26 22.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 47.02 1.64 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 tp -121.79 -44.05 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . . . -109.59 139.8 44.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.406 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 32.4 p90 -154.46 156.12 36.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 174.03 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -89.55 133.17 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 28.4 m -120.73 76.79 28.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -75.03 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 tp10 -37.9 92.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.76 51.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -143.78 63.97 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 0.739 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.401 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 24.5 t30 -93.5 27.98 2.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 45.8 mt -145.54 126.3 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.6 m -100.09 155.01 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 8.2 p90 -145.15 156.62 43.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.36 120.49 10.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.589 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -91.28 128.8 37.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.654 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 96.4 m-85 -114.47 145.23 42.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.513 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -84.71 135.96 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt 61.73 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -125.93 163.16 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.24 -35.99 19.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -41.26 -53.48 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' ASP . 73.0 p -66.17 176.04 1.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.79 148.23 87.82 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.654 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 172.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.513 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 30.4 m -101.71 -33.35 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' N ' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -170.82 166.85 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -162.79 150.12 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.74 -165.37 16.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -98.6 158.26 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 tt -165.06 176.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.244 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -114.11 -30.21 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 t -132.53 137.53 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.33 118.75 56.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.44 35.32 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -75.93 164.26 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 11.5 m-20 -73.58 149.3 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 47' ' ' LEU . 15.0 p -77.18 -134.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.54 -60.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 47' ' ' LEU . 2.6 mm? -127.05 11.92 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 3.6 t -104.27 133.38 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 137.18 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 44' ' ' LYS . 3.3 m-85 -110.23 113.27 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -109.46 157.1 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.16 162.8 34.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.85 170.8 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 108.354 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 18.3 p30 -137.5 28.13 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.1 p -129.68 143.26 50.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.56 135.81 57.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 64.18 29.07 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.0 p -75.15 -41.4 58.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 53.4 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 5.3 mtmp? -96.55 120.0 36.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 m -109.13 146.34 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.527 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.1 m-20 -92.81 175.86 6.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -95.55 -153.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.65 -35.34 65.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.5 t -109.64 137.93 20.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -124.42 -53.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.502 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -98.89 122.4 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.527 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.3 p90 -146.47 156.22 43.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -143.54 -174.25 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.461 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -92.66 144.7 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.8 m -120.15 75.44 22.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -75.02 -42.47 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.443 1.759 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 2.7 tm-20 -41.49 92.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 31.47 44.93 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 16' ' ' GLU . 2.0 mmtp -137.36 134.06 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -146.54 18.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 60.6 mt -145.68 157.29 43.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.5 m -126.13 152.11 46.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.0 p90 -145.64 158.21 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.62 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.7 131.05 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.635 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 32.3 mtm -98.36 132.2 44.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.629 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -117.29 145.26 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.512 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 2.9 ttm -83.69 133.55 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 62.37 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.1 m -123.93 163.59 21.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.02 -35.4 20.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -42.0 -50.77 4.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.9 p -66.84 179.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.36 149.25 98.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.629 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.92 170.21 20.91 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.557 1.819 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.3 m -104.71 -40.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -156.14 174.62 15.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.79 174.33 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . 172.05 -177.79 44.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.79 155.8 16.65 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.509 ' CA ' ' HD3' ' A' ' 18' ' ' LYS . 3.4 tt -155.63 169.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.34 -34.84 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.33 138.78 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.77 118.02 53.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.26 18.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 131.44 40.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 46' ' ' SER . 31.0 t30 -75.3 165.73 24.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 91.5 p -120.51 178.3 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.063 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.05 -14.43 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.38 -50.99 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -116.63 139.02 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 25' ' ' PHE . 11.7 tppt? -90.96 137.34 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.635 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-30 -107.14 133.06 52.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -98.76 159.31 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.05 170.8 20.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 108.305 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.485 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 48.8 p-10 -140.47 34.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.506 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 8.0 p -132.27 144.78 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -62.15 133.16 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.1 mtm-85 64.79 29.84 12.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.473 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 31.4 p -75.25 -27.74 59.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 53.1 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -105.44 145.44 30.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 91.5 m -145.17 156.48 43.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 44.2 m-80 -89.16 170.27 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -140.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -53.63 -32.16 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.407 ' CG1' HG21 ' A' ' 9' ' ' ILE . 84.4 t -120.56 137.56 26.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.95 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 10' ' ' ALA . 4.4 tp -123.23 -34.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.17 121.36 41.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 30.0 p90 -137.79 148.79 45.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 175.36 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -87.64 136.18 33.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.4 m -119.75 76.17 20.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.604 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -75.04 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.5 mm-40 -36.08 89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 22.77 49.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 mtpp -138.8 74.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.456 ' O ' ' CD2' ' A' ' 1' ' ' LEU . 19.0 t30 -92.99 17.99 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 87.1 mt -136.73 154.57 50.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -130.25 158.77 38.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.67 ' CA ' ' HZ3' ' A' ' 23' ' ' LYS . 23.9 p90 -145.61 158.39 43.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.67 ' HZ3' ' CA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -142.87 125.56 15.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -97.84 125.55 42.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.62 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -112.85 143.53 43.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.472 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 2.5 ttm -85.2 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 61.89 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -103.19 161.86 13.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.932 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.13 -39.31 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.3 mt -44.39 -33.5 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.7 p -75.16 -179.75 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.4 147.94 95.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.03 154.05 42.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 35.7 m -96.17 -34.24 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 2.1 pttm -151.85 162.94 40.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' CZ ' ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.92 -174.1 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.423 ' HA2' ' CZ ' ' A' ' 36' ' ' ARG . . . 162.7 -177.08 38.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.73 161.71 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 tt -164.86 171.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -108.5 -33.61 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.5 p -129.23 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 t -69.35 120.65 78.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 164.66 32.97 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -69.9 131.93 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 24.9 t30 -73.74 144.54 45.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.9 p -91.97 -179.51 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.32 -15.17 18.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.24 -52.04 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.5 t -106.38 138.67 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -87.12 133.73 33.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.56 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-30 -104.76 126.9 52.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -130.73 121.03 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.2 m -106.95 164.17 12.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 108.343 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.1 p -155.7 172.3 18.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 15.1 p30 -145.3 36.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.5 p -136.31 152.54 50.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -61.59 141.41 57.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 50.27 36.81 13.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.35 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.1 p -75.71 -23.96 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 49.6 p30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.48 HD11 ' CA ' ' A' ' 56' ' ' THR . 13.0 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -98.8 127.6 44.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -117.9 143.95 45.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.245 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 34.0 m-80 -83.92 168.74 15.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' CE ' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -91.62 -149.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tt -55.18 -27.6 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.0 t -118.04 137.47 24.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 47.23 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -120.19 -56.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.48 ' HB1' ' CE ' ' A' ' 5' ' ' LYS . . . -100.47 138.23 37.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.446 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 15.0 p90 -145.59 144.81 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 172.27 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.425 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -90.12 129.99 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.515 ' O ' ' O ' ' A' ' 18' ' ' LYS . 55.2 m -118.32 78.68 14.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.588 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.95 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.6 mm-40 -37.49 89.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.08 49.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 14' ' ' CYS . 7.5 mttp -138.99 71.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.44 ' O ' ' CD2' ' A' ' 1' ' ' LEU . 37.8 t30 -92.7 -0.25 57.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -114.27 138.56 50.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 6.8 m -114.73 154.31 28.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 6.1 p90 -143.48 158.91 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 2.0 pttt -145.52 122.25 11.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.529 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -93.45 121.26 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -108.16 142.54 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.467 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.1 ttt -84.76 133.01 34.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.3 mtp 63.41 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -123.18 160.23 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -88.11 -36.79 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -42.45 -46.43 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' ASP . 77.2 p -68.38 174.77 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -64.45 151.06 92.28 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.597 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.7 Cg_endo -74.85 166.66 28.8 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 6.1 m -113.23 -46.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.355 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -142.18 159.32 42.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.81 178.08 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 171.78 -173.01 44.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.62 161.91 13.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.55 178.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.83 -45.19 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.7 t -121.95 138.78 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -64.73 120.86 69.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 170.7 19.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 127.73 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 46' ' ' SER . 47.9 t30 -75.53 166.63 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 80.6 p -124.88 -177.8 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.11 -12.72 21.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -44.51 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -125.82 135.05 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -85.58 137.87 32.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -110.24 124.61 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -126.44 110.13 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.05 164.11 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.252 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -159.51 168.0 27.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 108.261 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -134.15 19.41 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.48 ' CA ' HD11 ' A' ' 1' ' ' LEU . 11.0 p -118.76 142.78 47.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.78 137.98 58.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HA ' ' ND2' ' A' ' 4' ' ' ASN . 26.1 mtp180 62.38 29.36 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 24.6 p -75.74 -31.33 59.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.9 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -126.2 120.19 29.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.93 145.4 42.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -94.3 171.25 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.96 -154.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -54.34 -32.67 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 54.2 t -110.84 130.72 22.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 46.86 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.03 -42.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.46 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.88 129.22 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 18.9 p90 -145.53 154.13 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 169.73 16.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.209 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.43 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.73 133.43 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 18' ' ' LYS . 65.6 m -118.2 78.56 13.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.549 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.99 -48.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 1.6 mt-10 -38.02 91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 24.0 51.13 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.7 mttt -143.61 65.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 0.819 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -94.39 26.82 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.3 mt -142.9 126.55 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -101.63 154.46 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.445 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -145.98 151.98 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.673 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.58 118.91 8.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mpp? -93.98 133.12 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 98.6 m-85 -114.56 150.53 34.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.521 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 3.1 ttm -83.48 131.22 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' MET . 21.1 mmm 62.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -118.74 163.1 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -85.14 -38.19 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -40.52 -52.96 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.7 p -61.37 173.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -63.99 150.86 90.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.603 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.03 162.63 36.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.801 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.521 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.9 m -101.09 -35.76 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 26.9 tttt -157.47 153.24 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.516 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -165.12 140.06 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.35 -152.45 6.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -107.14 157.99 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.9 tt -162.58 177.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 11.9 t70 -115.82 -34.74 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.41 137.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.6 t -75.52 119.57 77.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.84 34.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -68.8 131.5 45.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 46' ' ' SER . 42.3 t30 -75.6 166.25 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.585 1.178 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -127.98 172.45 10.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -84.14 -21.82 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 48' ' ' LEU . 4.3 mm? -77.63 -59.68 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.9 t -114.61 134.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -85.82 138.66 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-85 -109.31 130.52 55.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 2.5 t -130.86 110.92 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.6 m -101.95 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.63 174.04 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 108.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.38 16.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 8.0 p -113.14 145.21 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.67 140.93 58.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 58.44 28.57 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 28.8 p -76.63 -23.28 53.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.236 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.5 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -95.31 120.06 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.5 m -113.31 156.8 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.6 m-20 -102.54 171.46 7.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.03 -145.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.613 HD13 HH12 ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.67 -54.59 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.8 t -95.91 138.83 21.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.204 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 47.26 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -122.69 -42.01 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -107.53 125.17 50.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.487 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 41.2 p90 -153.1 154.39 34.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -142.32 -168.65 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -95.01 144.42 25.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.9 m -117.59 80.65 13.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -75.04 -43.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 17' ' ' GLY . 38.4 tt0 -40.18 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.61 47.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.078 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 14' ' ' CYS . 3.3 mttp -138.58 133.6 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -144.82 15.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 75.7 mt -145.76 153.75 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -119.28 148.02 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 108.384 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 2.1 p90 -138.83 156.6 47.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -141.27 129.53 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.612 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 2.4 mtp -101.05 124.34 46.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.0 m-85 -108.34 144.58 35.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -84.39 135.56 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' MET . 48.0 mmm 62.69 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.5 m -124.55 161.88 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -90.05 -33.46 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.07 -50.33 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 65.8 p -70.02 174.5 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -61.27 150.31 80.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 24' ' ' MET . 2.2 m -115.12 -41.76 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 164.7 33.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.613 HH12 HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -166.39 153.34 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.2 -172.3 29.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 m -97.71 160.45 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.4 tt -165.49 161.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -96.54 -32.86 12.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.7 140.78 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.84 126.42 91.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 108.307 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.66 3.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 47.0 mtmt -75.54 130.74 39.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.56 128.19 34.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -93.31 163.49 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.926 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -29.24 22.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -50.84 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -114.69 136.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -84.79 133.81 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.055 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.612 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-30 -104.53 128.71 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.49 118.13 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.181 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -108.02 155.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.5 168.17 28.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 108.342 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 6.4 p30 -132.41 27.47 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.0 p -116.54 141.99 47.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -63.53 129.48 40.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 65.65 34.75 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.226 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 56' ' ' THR . 14.5 p -75.68 -33.13 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -116.18 121.19 41.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -112.13 145.24 40.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.485 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -95.15 165.77 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CE ' ' HB2' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -84.98 -153.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.445 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 2.7 tp -54.34 -43.57 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.5 t -101.43 136.25 19.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 46.79 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -120.63 -47.83 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . . . -104.59 129.46 52.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CZ ' ' HD3' ' A' ' 58' ' ' ARG . 37.5 p90 -154.73 154.42 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -142.95 -179.52 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.93 143.86 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.0 m -117.88 80.43 14.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.07 -42.22 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 6.6 mm-40 -38.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.19 46.24 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 18.2 mttt -140.43 137.58 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -145.53 16.18 1.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 59.1 mt -146.44 158.19 43.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.6 m -121.82 154.01 37.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 3.0 p90 -145.56 151.39 38.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.694 ' HZ3' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.26 126.85 21.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.628 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 26.1 mtm -96.94 130.12 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.639 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 86.6 m-85 -115.38 146.92 41.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.532 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -86.96 128.87 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.3 mtm 60.77 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' MET . 33.3 p -108.32 157.52 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -93.62 -42.07 9.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ASP . 15.8 mt -40.36 -52.85 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' ASP . 59.4 p -61.43 179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.97 142.22 98.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.639 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.8 Cg_endo -74.92 171.48 18.21 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.532 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 17.9 m -94.91 -35.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' CG ' ' HE1' ' A' ' 24' ' ' MET . 11.1 ptmt -170.23 172.04 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -164.33 154.99 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.49 -164.66 15.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.5 m -106.38 157.25 17.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 tt -161.12 166.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -96.66 -37.74 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.249 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.99 138.26 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.09 121.17 74.94 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 169.44 22.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 132.33 42.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.4 166.45 23.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.9 p -120.53 178.88 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 -9.81 32.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.17 -55.77 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.83 136.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.34 137.95 32.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 0.0 109.208 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -109.5 123.03 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.36 114.68 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.7 161.35 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 1.7 p -155.0 172.22 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 27.5 p-10 -143.76 21.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.466 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -117.63 122.31 43.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 1' ' ' LEU . 11.3 m-20 -45.16 124.96 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.497 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 1.7 mtm105 75.47 30.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.466 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 17.6 p -75.63 -38.17 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.251 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.694 ' HA ' ' HZ3' ' A' ' 23' ' ' LYS . 43.3 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.1 OUTLIER -109.32 144.98 36.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.386 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -145.43 159.23 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.45 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 1.4 m-80 -91.99 167.96 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.81 -141.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 2.4 tp -57.59 -24.09 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.1 t -124.8 139.25 32.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.2 Cg_endo -74.92 47.41 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 tp -123.74 -56.92 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.505 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -93.9 108.36 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.4 p90 -134.45 151.02 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -144.42 -178.67 6.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.454 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -84.82 147.65 26.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.5 m -117.74 78.2 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 108.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.8 mt-10 -40.25 93.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 25.98 48.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.6 mttt -139.87 145.77 38.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -147.32 -39.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.438 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 80.2 mt -92.2 164.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.19 160.86 34.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -144.59 159.52 42.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HE2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -143.15 119.9 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CD1' ' A' ' 51' ' ' TYR . 35.6 mtm -91.68 128.55 37.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.631 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 93.1 m-85 -116.43 145.98 42.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.498 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.99 133.77 34.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' MET . 12.8 mtt 62.2 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -123.23 161.04 25.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -86.6 -32.24 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -44.4 -36.76 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.5 p -82.79 172.16 13.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.86 148.11 77.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.631 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.96 166.39 29.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 8.6 m -101.33 -35.26 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -157.81 165.91 34.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 1.5 ptt180 -165.91 152.44 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.34 -172.25 32.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.19 151.05 20.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -154.33 162.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -99.42 -30.88 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.79 134.75 53.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.63 119.46 57.44 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 108.36 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.81 132.63 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.506 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 33.7 t30 -74.78 149.75 39.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.3 p -105.27 154.34 20.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -12.43 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.62 -43.91 8.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.7 t -121.65 138.83 50.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.8 tptp -86.36 132.48 33.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 3.8 m-30 -105.66 114.45 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.58 114.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.3 m -97.07 169.55 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 p -157.41 172.76 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.273 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 40.6 p30 -144.51 18.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 31.7 p -119.09 145.75 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' N ' ' CD2' ' A' ' 1' ' ' LEU . 15.2 m-20 -61.02 136.87 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 63.52 30.83 15.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.425 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 24.1 p -75.38 -18.61 59.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 35.7 p-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -103.84 119.3 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' CA ' ' A' ' 11' ' ' TYR . 3.6 m -102.45 154.99 18.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 43.4 m-20 -83.23 154.99 23.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' CD ' ' HB1' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -151.01 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 9.4 tt -49.82 -40.0 40.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.5 t -108.12 140.4 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 47.38 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -127.04 -48.26 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HB1' ' CD ' ' A' ' 5' ' ' LYS . . . -104.04 136.31 43.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.541 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 1.1 p90 -134.67 144.86 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 164.8 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.23 125.09 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.498 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' O ' ' A' ' 18' ' ' LYS . 74.2 m -118.04 80.05 14.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.1 Cg_endo -75.02 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.0 mp0 -38.04 90.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.97 48.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.5 mttm -136.48 72.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -93.44 0.03 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -117.26 154.27 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.2 p90 -142.33 160.58 39.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.89 129.37 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.576 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -101.55 121.34 41.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 91.1 m-85 -107.83 136.97 46.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -84.71 126.11 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.948 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' SER . 4.6 mtt 43.54 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.4 t 91.37 150.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -96.67 -36.12 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.8 mt -42.3 -45.84 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 1.058 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' ASP . 68.5 p -63.88 172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -67.93 152.38 96.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.373 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.726 ' HB2' HH12 ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.95 159.57 41.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 32.6 m -113.73 -38.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 1.6 pttt -144.11 159.26 42.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.726 HH12 ' HB2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -166.48 175.1 8.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.31 -177.92 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.71 164.3 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 tt -165.89 177.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 10.5 p-10 -110.55 -37.87 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 146.07 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.26 119.96 60.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.293 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.34 12.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -71.18 127.85 33.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 46' ' ' SER . 60.1 t-20 -75.06 147.5 40.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 63.3 p -106.82 158.76 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.4 -30.6 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.65 -53.74 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -108.73 135.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -86.13 129.93 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-30 -100.94 137.05 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -139.49 115.76 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.6 m -100.47 168.46 9.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 108.263 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -164.25 172.67 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -141.61 17.71 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 9.9 p -116.19 128.61 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -50.95 128.75 22.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 72.42 29.69 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 12.7 p -74.9 -44.14 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -123.25 122.84 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -113.82 149.26 35.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.412 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -102.7 169.37 8.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -89.86 -161.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.42 -33.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.0 t -111.09 129.8 23.62 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 47.1 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 tp -120.28 -40.08 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.41 124.5 49.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.412 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 14.2 p90 -142.79 157.78 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 174.73 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.462 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -85.96 142.84 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.7 m -119.9 75.74 21.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.97 -45.28 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -35.48 94.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.4 45.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.9 mttp -140.96 135.79 31.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 0.765 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -145.9 18.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.8 mt -145.05 153.84 41.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -121.59 153.87 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.351 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.536 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 2.6 p90 -143.07 152.09 41.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 128.52 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.626 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 44.9 mtm -97.41 127.1 43.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.638 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.7 m-85 -113.12 144.55 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.486 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.8 ttt -83.94 134.91 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 63.07 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -124.88 162.42 24.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -87.05 -35.12 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -42.61 -45.6 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.9 p -72.39 171.72 11.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.47 149.49 77.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.638 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.01 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 5.9 m -107.7 -38.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.56 171.16 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 5.7 ptp180 -165.5 165.91 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.346 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.65 -179.41 43.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 m -93.65 160.53 14.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -164.82 167.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -106.76 -29.04 9.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.17 131.5 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.08 120.64 68.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 108.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.16 18.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.569 1.826 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -74.69 128.21 35.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -75.19 165.65 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -126.02 -173.03 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -12.22 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.66 -53.54 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -122.23 138.77 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -87.6 135.28 33.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-30 -105.8 127.1 52.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.571 1.169 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.93 114.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.6 m -101.7 162.92 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.6 172.15 18.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.617 1.198 . . . . 0.0 108.289 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -137.66 23.35 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.449 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 9.9 p -124.12 141.74 51.8 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.53 136.22 57.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 65.07 27.57 12.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.375 1.047 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.449 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -75.47 -20.73 58.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' C ' ' NH2' ' A' ' 36' ' ' ARG . 47.9 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 24.1 tp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -117.57 144.23 45.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 1.2 m-20 -89.08 166.2 14.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -90.81 -152.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.15 -37.66 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 9' ' ' ILE . 79.0 t -107.36 133.84 20.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 47.05 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 ' CG1' ' A' ' 7' ' ' VAL . 3.9 tp -122.73 -45.77 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.82 134.25 50.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 30.6 p90 -147.03 146.31 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -123.42 167.37 13.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.45 ' CG2' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.83 131.38 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.398 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.9 m -119.38 77.13 18.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.98 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 17' ' ' GLY . 42.3 tt0 -38.15 91.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.19 52.7 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 111.078 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 8.7 mttm -144.93 65.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -94.54 28.95 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.1 mt -144.8 128.38 17.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.449 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 5.6 m -103.23 154.97 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 7.5 p90 -145.41 153.5 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.11 118.31 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.588 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.32 127.86 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 90.2 m-85 -112.77 146.75 38.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' SER . 2.3 ttp -83.57 136.71 34.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.6 mtp 62.32 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -123.98 165.22 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.22 -35.9 14.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.99 -49.47 4.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 p -65.62 178.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.62 150.16 97.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 169.81 21.79 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.446 1.761 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 11.8 m -115.36 -39.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -145.7 150.25 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -167.31 146.28 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.43 -162.14 13.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -97.73 162.16 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.39 177.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 51.8 t0 -107.91 -51.33 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 42' ' ' CYS . 84.8 t -121.26 138.79 50.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' N ' HG11 ' A' ' 41' ' ' VAL . 14.6 t -64.86 121.66 74.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.87 15.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -68.07 129.21 39.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.537 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 47.4 t-20 -75.21 131.28 40.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.8 p -87.46 165.66 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.536 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -86.04 -30.37 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.14 -49.24 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.93 135.78 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 131.39 34.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -103.88 119.85 39.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.59 110.99 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.8 m -100.16 161.48 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 108.214 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.99 168.01 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -133.87 17.31 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.465 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 8.6 p -115.31 140.62 48.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.93 137.33 58.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 63.42 28.17 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.465 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -74.83 -36.81 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 49.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -123.73 122.08 37.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -113.73 144.5 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.532 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -92.75 178.97 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -96.33 -150.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 6' ' ' LEU . 1.2 tm? -59.34 -33.2 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.7 t -114.43 136.87 22.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 47.66 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 tp -121.32 -43.21 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.71 118.67 35.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 31.4 p90 -144.17 157.05 44.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 -175.71 4.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -88.63 145.98 25.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.6 m -117.04 80.85 11.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.93 -44.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.506 ' O ' ' C ' ' A' ' 17' ' ' GLY . 41.0 mt-10 -40.85 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.35 45.83 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mttp -137.36 146.28 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 1' ' ' LEU . 16.4 t30 -147.41 -39.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 79.3 mt -91.64 159.59 15.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.4 m -125.41 156.45 38.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 108.262 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.8 p90 -144.77 156.28 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 14.3 pttt -145.78 113.88 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.577 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -85.77 134.77 33.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 41.6 m-85 -122.99 148.42 45.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.511 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -90.78 129.71 36.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.941 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' MET . 17.6 mtp 38.17 95.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' MET . 19.5 m 66.19 127.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.467 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -67.22 -23.03 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.9 mt -40.69 -53.34 2.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ASP . 60.4 p -69.99 175.74 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.86 147.96 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.99 168.32 25.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.3 m -97.83 -41.6 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 18.1 tttm -166.25 168.48 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -158.87 161.4 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . -170.05 -171.39 35.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.591 1.182 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -100.15 152.3 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -155.34 157.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.89 -32.07 17.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.43 135.72 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -64.88 121.79 75.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.572 1.828 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -65.24 129.12 38.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.522 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 31.0 t-20 -75.31 132.71 41.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -89.36 162.38 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -28.86 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.31 -51.41 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.4 136.27 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -84.59 132.11 34.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -104.75 103.45 13.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.4 t -105.17 105.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -94.34 169.11 10.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -162.14 174.8 12.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 108.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 38.4 p-10 -146.17 20.14 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 16.4 p -118.33 140.29 50.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 12.1 m-20 -59.74 126.29 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 6.5 mtm180 77.41 26.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.42 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.7 p -75.42 -39.58 58.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.375 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.466 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 1.6 mtpt -105.24 140.71 37.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.7 m -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 108.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 8.1 m-80 -92.69 164.99 13.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.383 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.43 -143.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -39.24 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 9' ' ' ILE . 53.1 t -111.11 136.54 20.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.05 46.95 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG21 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -119.96 -41.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -111.1 126.24 54.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.406 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 24.0 p90 -144.49 152.1 40.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.4 171.82 13.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.466 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -84.49 137.37 33.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' LYS . 37.6 m -118.48 77.06 13.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.253 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.597 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.1 Cg_endo -75.1 -47.88 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 21.3 tt0 -36.45 89.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 23.2 49.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' GLU . 34.4 mttm -140.91 70.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -92.71 23.25 4.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 49.2 mt -138.36 151.69 47.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 64.3 m -126.69 157.78 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.54 155.87 43.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.38 119.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.611 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 35.7 mtm -94.33 126.43 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 88.4 m-85 -112.75 146.42 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.482 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -83.51 134.99 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.87 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -117.62 167.66 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -95.32 -33.97 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.4 mt -44.91 -37.88 4.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ASP . 70.1 p -78.06 174.83 10.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.11 148.6 95.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.8 m -111.15 -34.55 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 5.8 tptm -152.4 155.57 37.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -166.42 141.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.71 -168.09 19.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -94.77 162.1 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 tt -165.46 176.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -109.94 -46.77 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.67 137.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.4 121.85 78.84 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 170.54 20.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 130.95 44.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 28.6 t30 -75.71 139.42 41.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 60.3 p -94.58 170.78 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -29.3 19.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.94 -55.71 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -105.8 136.59 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -84.77 132.81 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.06 117.98 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.12 112.79 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.369 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.1 m -96.25 159.84 14.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 108.347 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 p -154.88 169.21 24.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.312 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.464 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 10.7 p-10 -147.44 37.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.083 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.449 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 17.0 p -130.82 145.46 51.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.76 124.61 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 73.48 32.45 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.351 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 21.4 p -76.7 -44.18 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.328 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.0 p-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -94.93 123.1 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -114.73 152.54 31.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -96.47 166.91 11.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.79 -146.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 tp -53.54 -45.64 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.4 t -107.37 137.82 19.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 46.66 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -120.69 -36.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.495 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.69 126.09 51.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -141.52 147.6 38.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CE ' ' O ' ' A' ' 13' ' ' THR . 7.9 ptmt -122.15 179.89 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.474 ' O ' ' CE ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -99.34 131.41 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.379 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LYS . 68.1 m -119.87 76.82 21.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.95 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.6 mt-10 -37.81 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.68 51.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 14' ' ' CYS . 10.2 mtmt -145.24 64.25 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -93.92 29.52 2.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 64.8 mt -142.8 124.17 14.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -99.41 155.44 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CD2' ' HE1' ' A' ' 24' ' ' MET . 4.7 p90 -144.29 155.11 43.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.49 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -142.97 124.66 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.597 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -99.37 126.28 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 92.4 m-85 -111.66 145.92 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.02 135.13 34.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.384 1.052 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.7 mtt 62.87 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.2 t -121.96 165.25 16.27 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.462 1.101 . . . . 0.0 109.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.29 -36.09 14.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -42.06 -45.82 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.4 p -67.29 -178.44 0.83 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -71.95 151.03 92.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 155.42 43.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 3.2 m -95.89 -39.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.89 159.98 44.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.43 152.77 8.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.95 -166.91 25.75 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -96.55 161.06 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.9 tt -165.09 176.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.227 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 4.3 t0 -105.36 -46.21 4.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.8 t -129.14 143.94 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.88 125.08 89.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.256 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.56 2.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mtmt -74.91 132.55 41.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.29 126.43 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' VAL . 72.4 p -90.23 151.62 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.81 58.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -48.49 22.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.3 t -118.02 136.96 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -84.35 133.89 34.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-30 -104.44 129.74 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -134.31 117.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -108.09 161.39 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.65 169.4 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 14.2 p-10 -136.88 30.93 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 7.8 p -129.92 147.41 51.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -61.19 141.38 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mtm105 52.49 34.16 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.472 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.4 p -76.0 -37.33 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.6 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -118.75 125.49 49.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 m -117.79 143.07 46.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.1 m-20 -96.29 172.95 7.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.95 -150.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.466 ' CB ' ' NH2' ' A' ' 36' ' ' ARG . 6.9 tt -51.22 -48.63 62.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.3 t -101.1 136.22 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 47.3 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.75 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -119.72 -45.09 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.95 129.21 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 27.2 p90 -146.7 153.45 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 172.81 9.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.414 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -94.06 133.1 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' LYS . 89.1 m -118.71 78.85 15.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.555 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.94 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -39.89 91.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.75 49.78 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 14' ' ' CYS . 11.0 mtpt -138.5 66.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -93.77 26.33 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 36.3 mt -145.14 129.09 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 28.0 m -104.82 153.56 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.1 p90 -145.22 153.63 41.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 126.75 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.405 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 47.5 mtp -96.17 118.09 32.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.606 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 96.3 m-85 -107.98 139.13 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' SER . 2.4 ttm -90.9 140.73 29.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 26' ' ' MET . 18.3 mmm 65.23 -64.82 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 0.0 111.09 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -141.42 160.63 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -88.66 -31.83 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.86 -46.94 5.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.3 p -72.13 178.21 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.02 152.47 96.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.98 152.27 40.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 16.0 m -95.11 -33.47 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 3.0 ptmm? -155.69 163.84 39.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' NH2' ' CB ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.67 172.02 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.78 -178.92 47.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 m -94.78 162.61 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.9 tt -165.45 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -105.93 -36.27 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.32 154.12 36.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.99 120.17 64.6 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.19 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -64.63 -174.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -163.12 124.67 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -104.45 171.59 7.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.997 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -17.53 56.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -56.43 4.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 4.9 t -114.95 129.32 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -84.47 126.47 33.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 5.2 m-85 -100.25 124.97 46.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.4 t -122.52 126.51 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.87 155.74 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 108.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 174.59 14.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -140.17 20.24 2.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.397 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.476 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.7 p -114.21 138.04 50.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.451 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -61.68 127.41 31.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 73.9 28.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 56' ' ' THR . 23.3 p -75.04 -37.36 61.75 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 35.8 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -100.42 119.76 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -107.96 150.27 27.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.425 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 21.4 m-20 -93.84 162.21 14.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.485 ' CD ' ' HB1' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -150.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -33.83 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -113.78 138.43 22.7 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 47.5 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.561 1.822 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.79 -52.93 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB1' ' CD ' ' A' ' 5' ' ' LYS . . . -103.3 132.87 49.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.425 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 12.1 p90 -141.77 155.13 45.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 172.0 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.87 129.69 44.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.0 m -118.1 79.97 14.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.254 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.559 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.99 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.8 mm-40 -38.71 90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.15 48.95 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -135.97 72.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 27.9 t30 -93.05 -2.84 55.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -114.47 137.8 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 15.4 m -114.89 150.28 35.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.482 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 5.6 p90 -138.6 156.88 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -140.6 126.44 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -97.67 123.16 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.8 m-85 -109.41 143.55 38.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.6 ttt -84.61 136.16 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' MET . 7.0 mtt 63.84 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -125.43 163.05 23.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -89.63 -36.64 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.62 -38.77 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' ASP . 40.4 p -74.16 172.6 11.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 33' ' ' PRO . 1.1 mp -64.42 151.18 91.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.89 152.72 41.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 11.5 m -100.54 -40.81 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 167.17 26.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.12 -176.4 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.466 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 174.67 178.22 44.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -94.72 160.29 14.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.67 178.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.97 -36.28 4.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.14 141.75 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.05 118.6 50.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.24 20.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.99 131.97 41.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 57.1 t30 -75.42 167.35 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -119.14 176.25 5.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.563 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -95.91 0.49 52.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.75 -48.3 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -116.73 136.96 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -86.25 137.18 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -108.54 128.9 55.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.6 t -132.29 117.57 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 m -103.16 166.83 10.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -160.26 172.35 17.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 108.347 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -140.7 26.78 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -125.35 141.27 52.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.68 131.42 49.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 70.03 28.35 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 56' ' ' THR . 30.9 p -75.21 -44.66 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.37 123.34 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.29 155.32 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.526 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -101.03 173.88 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.53 -154.68 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' N ' HH22 ' A' ' 36' ' ' ARG . 2.3 tp -54.03 -39.38 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.06 135.16 19.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 47.36 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG21 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -122.47 -42.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -109.4 128.08 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.526 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 43.5 p90 -152.88 154.1 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.36 -165.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.419 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -97.14 143.99 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 21.4 m -118.0 78.88 13.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 108.364 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -75.03 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 30.1 mt-10 -42.09 93.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 30.89 42.54 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.0 mttp -132.32 143.57 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -145.86 -42.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 97.7 mt -93.94 166.85 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.5 m -129.53 151.42 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 4.3 p90 -138.97 157.67 45.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -139.99 126.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.591 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 2.3 mtp -96.46 123.33 40.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 84.2 m-85 -111.42 144.93 39.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.569 ' O ' ' C ' ' A' ' 27' ' ' MET . 1.2 ttt -91.56 120.89 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.598 ' O ' ' CB ' ' A' ' 28' ' ' SER . 43.4 mmm 23.09 57.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 27' ' ' MET . 3.1 p 150.23 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.546 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -82.48 -44.04 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -41.16 -54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.3 p -59.51 173.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.88 149.35 90.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.08 153.33 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 34.6 m -93.72 -34.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.16 164.47 37.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.546 HH22 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -167.1 177.39 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.76 178.7 44.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.58 1.175 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -94.83 156.58 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 tt -161.65 161.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.91 -32.68 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.34 140.95 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.62 120.56 66.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.283 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 168.95 23.69 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.772 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -73.91 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 50.5 t30 -74.78 166.36 23.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.7 p -119.41 176.89 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.57 -6.35 49.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.6 -59.34 1.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -105.57 133.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -85.33 135.88 33.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -106.71 131.78 53.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.06 113.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.05 164.15 12.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.293 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.89 169.11 24.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.409 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 17.2 p-10 -136.4 22.49 3.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.427 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -123.24 147.35 47.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' N ' ' CD2' ' A' ' 1' ' ' LEU . 32.6 m-20 -60.48 141.75 56.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 53.84 33.96 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.449 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 21.3 p -75.73 -38.54 58.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 32.8 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.471 HD21 ' CA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -95.5 119.28 33.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.27 149.27 32.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.255 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.443 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -94.88 170.32 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -95.42 -156.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' N ' HH22 ' A' ' 36' ' ' ARG . 3.4 tt -51.49 -36.61 45.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.3 t -107.77 132.36 21.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 47.23 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -121.99 -46.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.483 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.75 128.05 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 17.5 p90 -141.87 149.93 40.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.6 -174.03 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.461 ' CG2' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -102.69 135.64 43.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 18' ' ' LYS . 93.6 m -120.59 76.68 27.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.271 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.583 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.99 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.551 ' O ' ' C ' ' A' ' 17' ' ' GLY . 67.3 tt0 -37.85 90.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.72 48.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.57 1.168 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.0 mttm -139.27 68.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -93.43 28.97 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.4 mt -145.73 127.73 15.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -102.36 147.92 26.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.8 p90 -143.34 155.74 44.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.9 131.08 19.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.595 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -95.79 130.42 42.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' ' HG3' ' A' ' 23' ' ' LYS . 97.4 m-85 -113.66 140.12 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -90.03 124.19 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.559 ' O ' ' CB ' ' A' ' 28' ' ' SER . 91.1 mtp 41.56 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.3 p 89.76 154.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -104.91 -35.95 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.377 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.1 mt -42.34 -45.94 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' ASP . 67.2 p -67.12 171.9 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -66.12 152.36 94.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.06 167.46 26.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 2.5 m -110.18 -35.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -154.52 167.28 30.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.37 177.59 6.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.29 179.15 45.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -94.88 163.86 13.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 tt -165.47 176.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.79 -34.11 8.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.6 144.4 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.24 119.43 55.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.28 27.39 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -71.05 128.82 37.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 46' ' ' SER . 48.0 t30 -74.7 166.36 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.6 p -115.87 179.87 3.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.66 -14.35 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.76 -52.47 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -108.47 137.46 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 139.46 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.595 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -110.43 126.99 54.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.5 t -127.01 113.48 32.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 m -105.46 157.88 17.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.56 165.05 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.66 34.17 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.6 p -130.23 145.8 51.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.57 138.93 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 57.64 30.44 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 56' ' ' THR . 21.6 p -75.01 -35.41 61.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.496 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 48.5 p-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.633 1.208 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 33.9 mtpt -104.48 144.43 31.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 96.0 m -145.18 158.33 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.343 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 1.4 m-80 -92.17 165.9 12.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.36 -139.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.11 -38.43 76.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 67.7 t -107.55 136.02 19.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.0 Cg_endo -75.0 46.8 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -124.11 -42.84 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -105.4 125.18 50.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 45.0 p90 -148.81 153.37 38.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -144.94 -177.11 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.472 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.77 146.2 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.0 m -117.63 76.93 10.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.01 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.569 1.826 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 mt-10 -39.15 92.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.28 48.76 0.03 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' GLU . 64.5 mttt -140.08 145.27 37.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -146.95 -38.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 72.8 mt -91.74 163.92 13.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -129.61 157.74 41.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 108.249 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 12.8 p90 -143.35 158.14 43.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.13 117.88 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 51' ' ' TYR . 24.2 mtm -87.99 130.08 35.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 33.6 m-85 -118.74 140.39 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.503 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.1 ttt -87.89 126.39 35.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 46.53 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.5 m 65.02 148.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -93.45 -20.94 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -45.22 -28.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.6 p -94.73 172.41 8.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -62.51 150.65 85.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.614 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 -179.82 5.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 8.5 m -117.07 -35.0 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -151.32 162.81 40.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG3' ' ND2' ' A' ' 60' ' ' ASN . 7.8 ptp180 -166.56 131.1 2.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.87 -171.39 14.61 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 m -98.78 151.73 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 tt -154.64 162.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -97.11 -31.77 12.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -136.55 135.66 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.61 119.28 58.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.86 15.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.58 130.02 39.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 46' ' ' SER . 31.6 t30 -74.71 147.73 41.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.9 p -91.0 171.19 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -25.2 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 -49.69 6.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.254 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -102.44 158.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' CD ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -112.69 132.18 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.5 m-30 -102.57 115.92 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.452 HG22 ' CD ' ' A' ' 50' ' ' LYS . 2.5 t -116.02 110.58 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.9 m -94.44 165.07 12.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -157.78 173.84 16.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.405 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 28.8 p30 -144.61 17.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 67.4 p -111.22 138.07 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' N ' ' CD2' ' A' ' 1' ' ' LEU . 5.6 m-20 -61.58 122.08 14.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 29.8 mtp180 80.87 30.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 56' ' ' THR . 16.8 p -75.08 -41.92 57.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.4 p-10 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 13.4 mtmm -103.17 147.96 26.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -145.46 158.67 43.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.486 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 47.0 m-80 -90.53 169.76 10.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -142.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -26.17 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -125.72 136.27 28.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.1 Cg_endo -75.03 46.75 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.754 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 tp -122.0 -36.01 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.49 118.61 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' HB3' ' CG ' ' A' ' 4' ' ' ASN . 30.7 p90 -136.32 145.38 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.81 174.62 9.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.509 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -85.12 144.57 28.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.3 m -117.88 76.85 11.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.341 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -75.09 -45.21 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 17' ' ' GLY . 20.8 tt0 -37.98 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 26.06 46.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' GLU . 33.8 mttt -140.52 146.54 38.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 1' ' ' LEU . 13.4 t-20 -147.07 -37.04 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.5 mt -91.21 161.29 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -130.63 159.23 37.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 17.2 p90 -144.48 154.49 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -138.98 122.5 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.585 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.09 131.92 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 95.8 m-85 -116.64 145.8 43.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.505 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.2 ttp -83.52 134.99 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.5 mmt 62.32 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' MET . 23.2 m -125.9 159.11 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -82.85 -31.68 27.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -45.95 -28.73 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.7 p -91.18 173.49 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.41 148.73 79.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 160.52 40.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 3.7 m -94.65 -33.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.21 168.71 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -164.28 148.98 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.7 -175.56 27.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -97.79 149.76 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tt -154.04 167.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.96 -32.16 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.607 1.192 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.9 p -132.85 137.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -65.9 120.79 71.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.44 20.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -75.12 131.22 40.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 50' ' ' LYS . 41.3 t30 -74.97 165.64 24.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -120.88 176.35 5.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.056 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -92.38 -11.0 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -95.16 -55.9 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.57 137.97 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.5 tptt -87.65 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.83 122.26 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -126.71 119.65 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.3 m -99.41 169.18 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 2.2 p -158.68 173.99 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -149.79 21.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.443 ' CA ' HD11 ' A' ' 1' ' ' LEU . 69.7 p -119.61 143.97 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' N ' HD12 ' A' ' 1' ' ' LEU . 15.8 m-20 -60.55 128.21 35.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 71.37 33.0 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.323 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.8 p -74.53 -44.77 49.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 40.4 p-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -99.41 125.49 45.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.1 m -109.44 148.96 30.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 31.1 m-20 -93.79 165.79 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -95.19 -151.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.78 -32.75 63.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.9 t -115.38 135.26 22.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 47.02 1.64 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 tp -121.79 -44.05 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . . . -109.59 139.8 44.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.406 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 32.4 p90 -154.46 156.12 36.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 174.03 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -89.55 133.17 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 28.4 m -120.73 76.79 28.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -75.03 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 tp10 -37.9 92.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.76 51.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -143.78 63.97 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 0.739 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 24.5 t30 -93.5 27.98 2.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 45.8 mt -145.54 126.3 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.6 m -100.09 155.01 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 8.2 p90 -145.15 156.62 43.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.36 120.49 10.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.589 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -91.28 128.8 37.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.654 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 96.4 m-85 -114.47 145.23 42.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.513 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -84.71 135.96 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt 61.73 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -125.93 163.16 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.24 -35.99 19.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -41.26 -53.48 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' ASP . 73.0 p -66.17 176.04 1.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.79 148.23 87.82 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.654 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 172.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.513 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 30.4 m -101.71 -33.35 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' N ' HG23 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -170.82 166.85 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -162.79 150.12 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.74 -165.37 16.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -98.6 158.26 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 tt -165.06 176.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.244 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -114.11 -30.21 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 t -132.53 137.53 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.33 118.75 56.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.44 35.32 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -75.93 164.26 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 11.5 m-20 -73.58 149.3 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 47' ' ' LEU . 15.0 p -77.18 -134.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.54 -60.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 47' ' ' LEU . 2.6 mm? -127.05 11.92 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 3.6 t -104.27 133.38 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 137.18 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 44' ' ' LYS . 3.3 m-85 -110.23 113.27 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -109.46 157.1 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.16 162.8 34.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.85 170.8 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 108.354 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 18.3 p30 -137.5 28.13 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.1 p -129.68 143.26 50.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.56 135.81 57.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 64.18 29.07 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.0 p -75.15 -41.4 58.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 53.4 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 5.3 mtmp? -96.55 120.0 36.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 m -109.13 146.34 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.527 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.1 m-20 -92.81 175.86 6.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -95.55 -153.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.65 -35.34 65.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.5 t -109.64 137.93 20.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -124.42 -53.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.502 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -98.89 122.4 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.527 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.3 p90 -146.47 156.22 43.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -143.54 -174.25 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.461 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -92.66 144.7 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.8 m -120.15 75.44 22.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -75.02 -42.47 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.443 1.759 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 2.7 tm-20 -41.49 92.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 31.47 44.93 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 16' ' ' GLU . 2.0 mmtp -137.36 134.06 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -146.54 18.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 60.6 mt -145.68 157.29 43.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.5 m -126.13 152.11 46.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.0 p90 -145.64 158.21 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.62 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.7 131.05 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.635 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 32.3 mtm -98.36 132.2 44.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.629 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -117.29 145.26 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.512 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 2.9 ttm -83.69 133.55 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 62.37 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.1 m -123.93 163.59 21.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.02 -35.4 20.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -42.0 -50.77 4.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.9 p -66.84 179.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.36 149.25 98.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.629 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.92 170.21 20.91 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.557 1.819 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.3 m -104.71 -40.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -156.14 174.62 15.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.79 174.33 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . 172.05 -177.79 44.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.79 155.8 16.65 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.509 ' CA ' ' HD3' ' A' ' 18' ' ' LYS . 3.4 tt -155.63 169.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.34 -34.84 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.33 138.78 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.77 118.02 53.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.26 18.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 131.44 40.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 46' ' ' SER . 31.0 t30 -75.3 165.73 24.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 91.5 p -120.51 178.3 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.063 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.05 -14.43 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.38 -50.99 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -116.63 139.02 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 25' ' ' PHE . 11.7 tppt? -90.96 137.34 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.635 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-30 -107.14 133.06 52.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -98.76 159.31 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.05 170.8 20.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 108.305 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.485 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 48.8 p-10 -140.47 34.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.506 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 8.0 p -132.27 144.78 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -62.15 133.16 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.1 mtm-85 64.79 29.84 12.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.473 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 31.4 p -75.25 -27.74 59.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 53.1 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -105.44 145.44 30.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 91.5 m -145.17 156.48 43.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 44.2 m-80 -89.16 170.27 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -140.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -53.63 -32.16 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.407 ' CG1' HG21 ' A' ' 9' ' ' ILE . 84.4 t -120.56 137.56 26.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.95 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 10' ' ' ALA . 4.4 tp -123.23 -34.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.17 121.36 41.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 30.0 p90 -137.79 148.79 45.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 175.36 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -87.64 136.18 33.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.4 m -119.75 76.17 20.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.604 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -75.04 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.5 mm-40 -36.08 89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 22.77 49.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 mtpp -138.8 74.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.456 ' O ' ' CD2' ' A' ' 1' ' ' LEU . 19.0 t30 -92.99 17.99 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 87.1 mt -136.73 154.57 50.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -130.25 158.77 38.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.67 ' CA ' ' HZ3' ' A' ' 23' ' ' LYS . 23.9 p90 -145.61 158.39 43.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.67 ' HZ3' ' CA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -142.87 125.56 15.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -97.84 125.55 42.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.62 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -112.85 143.53 43.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.472 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 2.5 ttm -85.2 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 61.89 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -103.19 161.86 13.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.932 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.13 -39.31 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.3 mt -44.39 -33.5 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.7 p -75.16 -179.75 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.4 147.94 95.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.03 154.05 42.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 35.7 m -96.17 -34.24 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 2.1 pttm -151.85 162.94 40.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' CZ ' ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.92 -174.1 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.423 ' HA2' ' CZ ' ' A' ' 36' ' ' ARG . . . 162.7 -177.08 38.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.73 161.71 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 tt -164.86 171.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -108.5 -33.61 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.5 p -129.23 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 t -69.35 120.65 78.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 164.66 32.97 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -69.9 131.93 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 24.9 t30 -73.74 144.54 45.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.9 p -91.97 -179.51 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.32 -15.17 18.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.24 -52.04 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.5 t -106.38 138.67 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -87.12 133.73 33.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.56 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-30 -104.76 126.9 52.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -130.73 121.03 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.2 m -106.95 164.17 12.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 108.343 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.1 p -155.7 172.3 18.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 15.1 p30 -145.3 36.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.5 p -136.31 152.54 50.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -61.59 141.41 57.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 50.27 36.81 13.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.35 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.1 p -75.71 -23.96 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 49.6 p30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.48 HD11 ' CA ' ' A' ' 56' ' ' THR . 13.0 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -98.8 127.6 44.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -117.9 143.95 45.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.245 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 34.0 m-80 -83.92 168.74 15.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' CE ' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -91.62 -149.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tt -55.18 -27.6 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.0 t -118.04 137.47 24.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 47.23 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -120.19 -56.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.48 ' HB1' ' CE ' ' A' ' 5' ' ' LYS . . . -100.47 138.23 37.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.446 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 15.0 p90 -145.59 144.81 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 172.27 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.425 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -90.12 129.99 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.515 ' O ' ' O ' ' A' ' 18' ' ' LYS . 55.2 m -118.32 78.68 14.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.588 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.95 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.6 mm-40 -37.49 89.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.08 49.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 14' ' ' CYS . 7.5 mttp -138.99 71.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' O ' ' CD2' ' A' ' 1' ' ' LEU . 37.8 t30 -92.7 -0.25 57.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -114.27 138.56 50.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 6.8 m -114.73 154.31 28.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 6.1 p90 -143.48 158.91 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 2.0 pttt -145.52 122.25 11.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.529 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -93.45 121.26 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -108.16 142.54 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.467 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.1 ttt -84.76 133.01 34.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.3 mtp 63.41 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -123.18 160.23 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -88.11 -36.79 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -42.45 -46.43 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' ASP . 77.2 p -68.38 174.77 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -64.45 151.06 92.28 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.597 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.7 Cg_endo -74.85 166.66 28.8 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 6.1 m -113.23 -46.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.355 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -142.18 159.32 42.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.81 178.08 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 171.78 -173.01 44.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.62 161.91 13.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.55 178.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.83 -45.19 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.7 t -121.95 138.78 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -64.73 120.86 69.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 170.7 19.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 127.73 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 46' ' ' SER . 47.9 t30 -75.53 166.63 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 80.6 p -124.88 -177.8 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.11 -12.72 21.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -44.51 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -125.82 135.05 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -85.58 137.87 32.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -110.24 124.61 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -126.44 110.13 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.05 164.11 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.252 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -159.51 168.0 27.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 108.261 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -134.15 19.41 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.48 ' CA ' HD11 ' A' ' 1' ' ' LEU . 11.0 p -118.76 142.78 47.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.78 137.98 58.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HA ' ' ND2' ' A' ' 4' ' ' ASN . 26.1 mtp180 62.38 29.36 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 24.6 p -75.74 -31.33 59.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.9 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -126.2 120.19 29.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.93 145.4 42.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -94.3 171.25 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.96 -154.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -54.34 -32.67 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 54.2 t -110.84 130.72 22.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 46.86 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.03 -42.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.88 129.22 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 18.9 p90 -145.53 154.13 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 169.73 16.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.209 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.43 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.73 133.43 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 18' ' ' LYS . 65.6 m -118.2 78.56 13.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.549 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.99 -48.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 1.6 mt-10 -38.02 91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 24.0 51.13 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.7 mttt -143.61 65.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 0.819 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -94.39 26.82 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.3 mt -142.9 126.55 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -101.63 154.46 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -145.98 151.98 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.673 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.58 118.91 8.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mpp? -93.98 133.12 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 98.6 m-85 -114.56 150.53 34.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.521 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 3.1 ttm -83.48 131.22 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' MET . 21.1 mmm 62.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -118.74 163.1 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -85.14 -38.19 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -40.52 -52.96 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.7 p -61.37 173.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -63.99 150.86 90.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.603 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.03 162.63 36.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.801 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.521 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.9 m -101.09 -35.76 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 26.9 tttt -157.47 153.24 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.516 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -165.12 140.06 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.35 -152.45 6.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -107.14 157.99 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.9 tt -162.58 177.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 11.9 t70 -115.82 -34.74 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.41 137.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.6 t -75.52 119.57 77.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.84 34.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -68.8 131.5 45.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 46' ' ' SER . 42.3 t30 -75.6 166.25 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.585 1.178 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -127.98 172.45 10.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -84.14 -21.82 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 48' ' ' LEU . 4.3 mm? -77.63 -59.68 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.9 t -114.61 134.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -85.82 138.66 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-85 -109.31 130.52 55.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 2.5 t -130.86 110.92 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.6 m -101.95 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.63 174.04 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 108.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.38 16.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 8.0 p -113.14 145.21 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.67 140.93 58.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 58.44 28.57 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 28.8 p -76.63 -23.28 53.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.236 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.5 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.442 HD21 ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 6.3 mtpp -95.31 120.06 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.5 m -113.31 156.8 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.6 m-20 -102.54 171.46 7.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.03 -145.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.798 HD13 HH11 ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.67 -54.59 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.531 HG13 ' HD2' ' A' ' 8' ' ' PRO . 73.8 t -95.91 138.83 21.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.204 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.531 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.0 Cg_endo -75.05 47.26 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.802 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -122.69 -42.01 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -107.53 125.17 50.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 41.2 p90 -153.1 154.39 34.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 13.3 ptmt -142.32 -168.65 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.628 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -95.01 144.42 25.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.9 m -117.59 80.65 13.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.628 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.04 -43.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 17' ' ' GLY . 38.4 tt0 -40.18 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.61 47.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.078 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 14' ' ' CYS . 3.3 mttp -138.58 133.6 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.503 ' O ' HD23 ' A' ' 20' ' ' LEU . 12.4 t-20 -144.82 15.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 19' ' ' ASN . 75.7 mt -145.76 153.75 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -119.28 148.02 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 108.384 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 2.1 p90 -138.83 156.6 47.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -141.27 129.53 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.612 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 2.4 mtp -101.05 124.34 46.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.0 m-85 -108.34 144.58 35.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -84.39 135.56 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' MET . 48.0 mmm 62.69 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.5 m -124.55 161.88 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.451 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -90.05 -33.46 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.07 -50.33 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 65.8 p -70.02 174.5 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -61.27 150.31 80.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.616 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 24' ' ' MET . 2.2 m -115.12 -41.76 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 164.7 33.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.798 HH11 HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -166.39 153.34 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.2 -172.3 29.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 m -97.71 160.45 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.4 tt -165.49 161.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -96.54 -32.86 12.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.7 140.78 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.84 126.42 91.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 108.307 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.66 3.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 47.0 mtmt -75.54 130.74 39.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.518 ' ND2' ' HB2' ' A' ' 51' ' ' TYR . 4.4 t-20 -75.56 128.19 34.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -93.31 163.49 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.926 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -29.24 22.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -50.84 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -114.69 136.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -84.79 133.81 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.055 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.612 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-30 -104.53 128.71 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.2 t -130.49 118.13 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.181 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -108.02 155.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.5 168.17 28.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 108.342 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 6.4 p30 -132.41 27.47 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.0 p -116.54 141.99 47.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -63.53 129.48 40.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 65.65 34.75 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.226 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 56' ' ' THR . 14.5 p -75.68 -33.13 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.609 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.609 ' H ' HD13 ' A' ' 1' ' ' LEU . 38.9 mtpt -116.18 121.19 41.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -112.13 145.24 40.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -95.15 165.77 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -84.98 -153.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.638 HD12 ' NH1' ' A' ' 36' ' ' ARG . 2.7 tp -54.34 -43.57 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.451 HG13 ' HD2' ' A' ' 8' ' ' PRO . 25.5 t -101.43 136.25 19.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.451 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.96 46.79 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -120.63 -47.83 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.532 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -104.59 129.46 52.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.498 ' CZ ' ' HD3' ' A' ' 58' ' ' ARG . 37.5 p90 -154.73 154.42 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -142.95 -179.52 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.648 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.93 143.86 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.0 m -117.88 80.43 14.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.648 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.07 -42.22 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 6.6 mm-40 -38.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.19 46.24 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 18.2 mttt -140.43 137.58 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -145.53 16.18 1.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 40' ' ' ASP . 59.1 mt -146.44 158.19 43.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.6 m -121.82 154.01 37.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -145.56 151.39 38.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -139.26 126.85 21.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.806 ' O ' HG22 ' A' ' 34' ' ' VAL . 26.1 mtm -96.94 130.12 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.642 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 86.6 m-85 -115.38 146.92 41.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.532 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -86.96 128.87 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.3 mtm 60.77 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' MET . 33.3 p -108.32 157.52 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.477 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -93.62 -42.07 9.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ASP . 15.8 mt -40.36 -52.85 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' ASP . 59.4 p -61.43 179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.97 142.22 98.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.642 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.8 Cg_endo -74.92 171.48 18.21 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 24' ' ' MET . 17.9 m -94.91 -35.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -170.23 172.04 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.638 ' NH1' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -164.33 154.99 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.49 -164.66 15.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.5 m -106.38 157.25 17.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 tt -161.12 166.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.8 t0 -96.66 -37.74 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.99 138.26 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.09 121.17 74.94 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 169.44 22.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 132.33 42.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.4 166.45 23.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.9 p -120.53 178.88 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 -9.81 32.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.17 -55.77 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.83 136.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -85.34 137.95 32.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 0.0 109.208 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -109.5 123.03 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.36 114.68 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.7 161.35 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 1.7 p -155.0 172.22 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 27.5 p-10 -143.76 21.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -117.63 122.31 43.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.566 ' N ' HD11 ' A' ' 1' ' ' LEU . 11.3 m-20 -45.16 124.96 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 1.7 mtm105 75.47 30.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 17.6 p -75.63 -38.17 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.251 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 43.3 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.454 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.1 OUTLIER -109.32 144.98 36.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.386 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -145.43 159.23 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.57 ' ND2' ' HB3' ' A' ' 11' ' ' TYR . 2.2 m120 -91.99 167.96 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.81 -141.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.444 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 2.4 tp -57.59 -24.09 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.538 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.1 t -124.8 139.25 32.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.538 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.92 47.41 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.529 HG23 ' N ' ' A' ' 10' ' ' ALA . 1.9 tp -123.74 -56.92 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.529 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -93.9 108.36 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.57 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 48.4 p90 -134.45 151.02 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -144.42 -178.67 6.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.72 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.82 147.65 26.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.5 m -117.74 78.2 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 108.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.72 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.8 mt-10 -40.25 93.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 25.98 48.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.6 mttt -139.87 145.77 38.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -147.32 -39.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 55' ' ' ASN . 80.2 mt -92.2 164.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.19 160.86 34.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -144.59 159.52 42.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HE2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -143.15 119.9 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CD1' ' A' ' 51' ' ' TYR . 35.6 mtm -91.68 128.55 37.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.631 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 93.1 m-85 -116.43 145.98 42.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.498 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.99 133.77 34.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' MET . 12.8 mtt 62.2 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -123.23 161.04 25.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -86.6 -32.24 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -44.4 -36.76 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.5 p -82.79 172.16 13.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.86 148.11 77.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.631 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.96 166.39 29.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 8.6 m -101.33 -35.26 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -157.81 165.91 34.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 1.5 ptt180 -165.91 152.44 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.34 -172.25 32.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.19 151.05 20.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -154.33 162.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -99.42 -30.88 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.79 134.75 53.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.63 119.46 57.44 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 108.36 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.81 132.63 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.506 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 33.7 t30 -74.78 149.75 39.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.3 p -105.27 154.34 20.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -12.43 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 48' ' ' LEU . 3.9 mm? -94.62 -43.91 8.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.7 t -121.65 138.83 50.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.8 tptp -86.36 132.48 33.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 3.8 m-30 -105.66 114.45 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.58 114.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.3 m -97.07 169.55 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 p -157.41 172.76 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.273 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.589 ' OD1' HG23 ' A' ' 56' ' ' THR . 40.6 p30 -144.51 18.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' OD1' ' A' ' 55' ' ' ASN . 31.7 p -119.09 145.75 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.523 ' N ' HD23 ' A' ' 1' ' ' LEU . 15.2 m-20 -61.02 136.87 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 63.52 30.83 15.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.409 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 24.1 p -75.38 -18.61 59.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 35.7 p-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.453 HD21 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -103.84 119.3 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 3.6 m -102.45 154.99 18.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -83.23 154.99 23.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.587 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -151.01 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 9.4 tt -49.82 -40.0 40.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.597 HG13 ' HD2' ' A' ' 8' ' ' PRO . 72.5 t -108.12 140.4 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.597 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.05 47.38 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.567 HG22 HG12 ' A' ' 7' ' ' VAL . 7.7 tp -127.04 -48.26 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -104.04 136.31 43.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 1.1 p90 -134.67 144.86 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 164.8 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.713 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -91.23 125.09 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.498 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' O ' ' A' ' 18' ' ' LYS . 74.2 m -118.04 80.05 14.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.713 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.1 Cg_endo -75.02 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.0 mp0 -38.04 90.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.97 48.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.5 mttm -136.48 72.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.52 ' O ' HD22 ' A' ' 20' ' ' LEU . 28.4 t30 -93.44 0.03 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -117.26 154.27 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.2 p90 -142.33 160.58 39.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.89 129.37 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.576 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -101.55 121.34 41.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 91.1 m-85 -107.83 136.97 46.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.725 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -84.71 126.11 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.948 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' SER . 4.6 mtt 43.54 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.4 t 91.37 150.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -96.67 -36.12 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.8 mt -42.3 -45.84 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 1.058 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' ASP . 68.5 p -63.88 172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -67.93 152.38 96.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.373 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.74 ' HB2' HH11 ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.95 159.57 41.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG11 ' HB2' ' A' ' 26' ' ' MET . 32.6 m -113.73 -38.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 1.6 pttt -144.11 159.26 42.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.74 HH11 ' HB2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -166.48 175.1 8.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.31 -177.92 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.71 164.3 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 tt -165.89 177.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 10.5 p-10 -110.55 -37.87 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 146.07 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.26 119.96 60.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.293 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.34 12.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -71.18 127.85 33.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 46' ' ' SER . 60.1 t-20 -75.06 147.5 40.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 63.3 p -106.82 158.76 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.4 -30.6 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.65 -53.74 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -108.73 135.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -86.13 129.93 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-30 -100.94 137.05 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.1 t -139.49 115.76 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.6 m -100.47 168.46 9.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 108.263 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -164.25 172.67 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -141.61 17.71 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 9.9 p -116.19 128.61 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' N ' HD21 ' A' ' 1' ' ' LEU . 4.4 m-20 -50.95 128.75 22.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 72.42 29.69 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 12.7 p -74.9 -44.14 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.54 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.54 ' H ' HD13 ' A' ' 1' ' ' LEU . 34.6 mtmt -123.25 122.84 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -113.82 149.26 35.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.7 169.37 8.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -89.86 -161.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -49.42 -33.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.693 HG12 HG22 ' A' ' 9' ' ' ILE . 81.0 t -111.09 129.8 23.62 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 47.1 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.693 HG22 HG12 ' A' ' 7' ' ' VAL . 8.0 tp -120.28 -40.08 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.41 124.5 49.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 14.2 p90 -142.79 157.78 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 174.73 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.916 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -85.96 142.84 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.7 m -119.9 75.74 21.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.916 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.97 -45.28 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -35.48 94.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.4 45.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.9 mttp -140.96 135.79 31.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 0.765 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -145.9 18.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.8 mt -145.05 153.84 41.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -121.59 153.87 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.351 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 2.6 p90 -143.07 152.09 41.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 128.52 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.625 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 44.9 mtm -97.41 127.1 43.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.7 m-85 -113.12 144.55 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.8 ttt -83.94 134.91 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 63.07 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -124.88 162.42 24.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -87.05 -35.12 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 30' ' ' LEU . 18.2 mt -42.61 -45.6 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.9 p -72.39 171.72 11.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -60.47 149.49 77.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.637 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.01 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 24' ' ' MET . 5.9 m -107.7 -38.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.56 171.16 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.461 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 5.7 ptp180 -165.5 165.91 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.346 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.65 -179.41 43.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 m -93.65 160.53 14.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -164.82 167.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -106.76 -29.04 9.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.17 131.5 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.08 120.64 68.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 108.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.16 18.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.569 1.826 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -74.69 128.21 35.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -75.19 165.65 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -126.02 -173.03 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -12.22 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.66 -53.54 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -122.23 138.77 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -87.6 135.28 33.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.625 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-30 -105.8 127.1 52.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.571 1.169 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.3 t -129.93 114.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.6 m -101.7 162.92 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.6 172.15 18.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.617 1.198 . . . . 0.0 108.289 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -137.66 23.35 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.451 ' C ' HD11 ' A' ' 1' ' ' LEU . 9.9 p -124.12 141.74 51.8 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.53 136.22 57.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 65.07 27.57 12.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.375 1.047 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.449 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -75.47 -20.73 58.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' C ' ' NH2' ' A' ' 36' ' ' ARG . 47.9 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 24.1 tp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -117.57 144.23 45.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -89.08 166.2 14.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -90.81 -152.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.15 -37.66 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.71 HG12 HG22 ' A' ' 9' ' ' ILE . 79.0 t -107.36 133.84 20.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.9 47.05 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.089 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.71 HG22 HG12 ' A' ' 7' ' ' VAL . 3.9 tp -122.73 -45.77 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.82 134.25 50.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -147.03 146.31 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -123.42 167.37 13.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.83 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.83 131.38 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.398 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.9 m -119.38 77.13 18.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.83 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.98 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 17' ' ' GLY . 42.3 tt0 -38.15 91.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.19 52.7 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 111.078 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 8.7 mttm -144.93 65.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -94.54 28.95 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 40' ' ' ASP . 27.1 mt -144.8 128.38 17.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.449 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 5.6 m -103.23 154.97 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 7.5 p90 -145.41 153.5 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.11 118.31 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.588 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.32 127.86 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 90.2 m-85 -112.77 146.75 38.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.621 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.3 ttp -83.57 136.71 34.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.6 mtp 62.32 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -123.98 165.22 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.22 -35.9 14.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.99 -49.47 4.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 p -65.62 178.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.4 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.62 150.16 97.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 169.81 21.79 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.446 1.761 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.621 HG11 ' HB2' ' A' ' 26' ' ' MET . 11.8 m -115.36 -39.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -145.7 150.25 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -167.31 146.28 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.43 -162.14 13.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -97.73 162.16 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 4.1 tt -165.39 177.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.808 ' O ' HD12 ' A' ' 20' ' ' LEU . 51.8 t0 -107.91 -51.33 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.8 t -121.26 138.79 50.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 t -64.86 121.66 74.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.87 15.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -68.07 129.21 39.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.546 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 47.4 t-20 -75.21 131.28 40.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.465 ' C ' HD13 ' A' ' 47' ' ' LEU . 63.8 p -87.46 165.66 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.827 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -86.04 -30.37 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.14 -49.24 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.93 135.78 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 131.39 34.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -103.88 119.85 39.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.59 110.99 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.8 m -100.16 161.48 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 108.214 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.99 168.01 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.486 ' OD1' HG23 ' A' ' 56' ' ' THR . 33.1 p-10 -133.87 17.31 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.486 HG23 ' OD1' ' A' ' 55' ' ' ASN . 8.6 p -115.31 140.62 48.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.93 137.33 58.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 63.42 28.17 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.465 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -74.83 -36.81 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 49.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.648 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.648 ' H ' HD13 ' A' ' 1' ' ' LEU . 6.7 mttm -123.73 122.08 37.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -113.73 144.5 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.519 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -92.75 178.97 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -96.33 -150.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.872 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.2 tm? -59.34 -33.2 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.596 HG12 HG22 ' A' ' 9' ' ' ILE . 61.7 t -114.43 136.87 22.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 47.66 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.596 HG22 HG12 ' A' ' 7' ' ' VAL . 4.2 tp -121.32 -43.21 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.71 118.67 35.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 31.4 p90 -144.17 157.05 44.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 -175.71 4.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.6 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -88.63 145.98 25.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.6 m -117.04 80.85 11.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.6 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.93 -44.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.506 ' O ' ' C ' ' A' ' 17' ' ' GLY . 41.0 mt-10 -40.85 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.35 45.83 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mttp -137.36 146.28 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 1' ' ' LEU . 16.4 t30 -147.41 -39.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 79.3 mt -91.64 159.59 15.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.4 m -125.41 156.45 38.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 108.262 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.8 p90 -144.77 156.28 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 14.3 pttt -145.78 113.88 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.576 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -85.77 134.77 33.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 41.6 m-85 -122.99 148.42 45.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.533 ' HB2' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -90.78 129.71 36.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.941 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' MET . 17.6 mtp 38.17 95.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' MET . 19.5 m 66.19 127.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.474 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -67.22 -23.03 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.9 mt -40.69 -53.34 2.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ASP . 60.4 p -69.99 175.74 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.86 147.96 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.99 168.32 25.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 24' ' ' MET . 4.3 m -97.83 -41.6 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 18.1 tttm -166.25 168.48 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -158.87 161.4 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . -170.05 -171.39 35.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.591 1.182 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -100.15 152.3 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -155.34 157.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.89 -32.07 17.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.43 135.72 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -64.88 121.79 75.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.572 1.828 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -65.24 129.12 38.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 31.0 t-20 -75.31 132.71 41.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -89.36 162.38 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -28.86 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.31 -51.41 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.4 136.27 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -84.59 132.11 34.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -104.75 103.45 13.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.4 t -105.17 105.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -94.34 169.11 10.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -162.14 174.8 12.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 108.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 38.4 p-10 -146.17 20.14 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.443 ' C ' HD11 ' A' ' 1' ' ' LEU . 16.4 p -118.33 140.29 50.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 12.1 m-20 -59.74 126.29 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 6.5 mtm180 77.41 26.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.7 p -75.42 -39.58 58.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.375 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.466 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 1.6 mtpt -105.24 140.71 37.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.7 m -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 108.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.549 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 8.1 m-80 -92.69 164.99 13.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.383 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.43 -143.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.542 HD23 HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -51.34 -39.24 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.542 HG23 HD23 ' A' ' 6' ' ' LEU . 53.1 t -111.11 136.54 20.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.05 46.95 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.832 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -119.96 -41.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -111.1 126.24 54.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -144.49 152.1 40.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.4 171.82 13.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.858 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.49 137.37 33.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' LYS . 37.6 m -118.48 77.06 13.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.253 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.858 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.1 Cg_endo -75.1 -47.88 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 21.3 tt0 -36.45 89.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 23.2 49.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' GLU . 34.4 mttm -140.91 70.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.2 t30 -92.71 23.25 4.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 40' ' ' ASP . 49.2 mt -138.36 151.69 47.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 64.3 m -126.69 157.78 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.54 155.87 43.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.38 119.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.611 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 35.7 mtm -94.33 126.43 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 88.4 m-85 -112.75 146.42 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -83.51 134.99 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.87 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -117.62 167.66 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -95.32 -33.97 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.4 mt -44.91 -37.88 4.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ASP . 70.1 p -78.06 174.83 10.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.11 148.6 95.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.8 m -111.15 -34.55 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 5.8 tptm -152.4 155.57 37.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -166.42 141.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.71 -168.09 19.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -94.77 162.1 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 tt -165.46 176.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.807 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.2 t0 -109.94 -46.77 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.67 137.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.4 121.85 78.84 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 170.54 20.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 130.95 44.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 28.6 t30 -75.71 139.42 41.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 60.3 p -94.58 170.78 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -29.3 19.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.94 -55.71 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -105.8 136.59 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -84.77 132.81 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.06 117.98 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.12 112.79 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.369 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.1 m -96.25 159.84 14.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 108.347 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 p -154.88 169.21 24.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.312 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 10.7 p-10 -147.44 37.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.083 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.449 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 17.0 p -130.82 145.46 51.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.76 124.61 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 73.48 32.45 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.351 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 21.4 p -76.7 -44.18 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.328 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.0 p-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.516 HD11 ' SG ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -94.93 123.1 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -114.73 152.54 31.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -96.47 166.91 11.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.79 -146.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 tp -53.54 -45.64 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.51 HG13 ' HD2' ' A' ' 8' ' ' PRO . 78.4 t -107.37 137.82 19.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -74.95 46.66 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.783 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -120.69 -36.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.495 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.69 126.09 51.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -141.52 147.6 38.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CE ' ' O ' ' A' ' 13' ' ' THR . 7.9 ptmt -122.15 179.89 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.868 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -99.34 131.41 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.379 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LYS . 68.1 m -119.87 76.82 21.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.868 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.95 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.6 mt-10 -37.81 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.68 51.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 14' ' ' CYS . 10.2 mtmt -145.24 64.25 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.407 ' C ' HD23 ' A' ' 1' ' ' LEU . 62.9 t30 -93.92 29.52 2.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.049 HD12 ' O ' ' A' ' 40' ' ' ASP . 64.8 mt -142.8 124.17 14.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.516 ' SG ' HD11 ' A' ' 1' ' ' LEU . 3.9 m -99.41 155.44 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 4.7 p90 -144.29 155.11 43.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -142.97 124.66 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.596 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -99.37 126.28 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 92.4 m-85 -111.66 145.92 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.02 135.13 34.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.384 1.052 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.7 mtt 62.87 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.2 t -121.96 165.25 16.27 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.462 1.101 . . . . 0.0 109.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.29 -36.09 14.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -42.06 -45.82 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.4 p -67.29 -178.44 0.83 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -71.95 151.03 92.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 155.42 43.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 24' ' ' MET . 3.2 m -95.89 -39.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.89 159.98 44.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.43 152.77 8.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.95 -166.91 25.75 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -96.55 161.06 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.9 tt -165.09 176.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.227 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 1.049 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.3 t0 -105.36 -46.21 4.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.8 t -129.14 143.94 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.88 125.08 89.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.256 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.56 2.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mtmt -74.91 132.55 41.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.29 126.43 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' VAL . 72.4 p -90.23 151.62 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.81 58.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -48.49 22.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.3 t -118.02 136.96 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -84.35 133.89 34.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-30 -104.44 129.74 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -134.31 117.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -108.09 161.39 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.65 169.4 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 14.2 p-10 -136.88 30.93 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 7.8 p -129.92 147.41 51.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -61.19 141.38 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mtm105 52.49 34.16 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.472 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.4 p -76.0 -37.33 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.6 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.486 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.486 ' H ' HD13 ' A' ' 1' ' ' LEU . 12.3 mttt -118.75 125.49 49.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 m -117.79 143.07 46.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.1 m-20 -96.29 172.95 7.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.95 -150.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.692 HD12 HH22 ' A' ' 36' ' ' ARG . 6.9 tt -51.22 -48.63 62.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.45 HG13 ' HD2' ' A' ' 8' ' ' PRO . 38.3 t -101.1 136.22 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 47.3 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.75 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.414 HD13 ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -119.72 -45.09 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.95 129.21 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 27.2 p90 -146.7 153.45 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 172.81 9.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.807 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -94.06 133.1 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' LYS . 89.1 m -118.71 78.85 15.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.807 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.94 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -39.89 91.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.75 49.78 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 14' ' ' CYS . 11.0 mtpt -138.5 66.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -93.77 26.33 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.942 HD12 ' O ' ' A' ' 40' ' ' ASP . 36.3 mt -145.14 129.09 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 28.0 m -104.82 153.56 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.1 p90 -145.22 153.63 41.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 126.75 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.405 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 47.5 mtp -96.17 118.09 32.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.61 ' O ' HG13 ' A' ' 49' ' ' VAL . 96.3 m-85 -107.98 139.13 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.646 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.4 ttm -90.9 140.73 29.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 26' ' ' MET . 18.3 mmm 65.23 -64.82 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 0.0 111.09 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -141.42 160.63 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -88.66 -31.83 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.86 -46.94 5.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.3 p -72.13 178.21 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.02 152.47 96.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.98 152.27 40.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 26' ' ' MET . 16.0 m -95.11 -33.47 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 3.0 ptmm? -155.69 163.84 39.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.692 HH22 HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.67 172.02 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.78 -178.92 47.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 m -94.78 162.61 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.425 HD13 ' HG3' ' A' ' 43' ' ' PRO . 5.9 tt -165.45 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.942 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -105.93 -36.27 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.32 154.12 36.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.99 120.17 64.6 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HG3' HD13 ' A' ' 39' ' ' ILE . 18.2 Cg_endo -75.04 -173.19 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -64.63 -174.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -163.12 124.67 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -104.45 171.59 7.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.997 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -17.53 56.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -56.43 4.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 25' ' ' PHE . 4.9 t -114.95 129.32 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -84.47 126.47 33.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 5.2 m-85 -100.25 124.97 46.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.4 t -122.52 126.51 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.87 155.74 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 108.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 174.59 14.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -140.17 20.24 2.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.397 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.7 p -114.21 138.04 50.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.451 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD2' HD13 ' A' ' 1' ' ' LEU . 15.4 m-20 -61.68 127.41 31.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 73.9 28.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' THR . 23.3 p -75.04 -37.36 61.75 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 35.8 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 56' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -100.42 119.76 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -107.96 150.27 27.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 21.4 m-20 -93.84 162.21 14.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -150.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -33.83 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 8' ' ' PRO . 71.7 t -113.78 138.43 22.7 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.94 47.5 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.561 1.822 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.79 -52.93 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -103.3 132.87 49.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 12.1 p90 -141.77 155.13 45.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 172.0 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.748 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -96.87 129.69 44.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.0 m -118.1 79.97 14.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.254 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.748 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.99 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.8 mm-40 -38.71 90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.15 48.95 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -135.97 72.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.535 ' O ' HD22 ' A' ' 20' ' ' LEU . 27.9 t30 -93.05 -2.84 55.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.47 137.8 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 15.4 m -114.89 150.28 35.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 5.6 p90 -138.6 156.88 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -140.6 126.44 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -97.67 123.16 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.8 m-85 -109.41 143.55 38.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.623 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.6 ttt -84.61 136.16 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' MET . 7.0 mtt 63.84 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -125.43 163.05 23.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.468 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -89.63 -36.64 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.62 -38.77 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' ASP . 40.4 p -74.16 172.6 11.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.1 mp -64.42 151.18 91.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.89 152.72 41.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 26' ' ' MET . 11.5 m -100.54 -40.81 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 167.17 26.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.12 -176.4 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 174.67 178.22 44.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -94.72 160.29 14.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.67 178.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.97 -36.28 4.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.14 141.75 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.05 118.6 50.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.24 20.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.99 131.97 41.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 57.1 t30 -75.42 167.35 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.614 ' C ' HD13 ' A' ' 47' ' ' LEU . 2.0 p -119.14 176.25 5.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.82 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -95.91 0.49 52.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.75 -48.3 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -116.73 136.96 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -86.25 137.18 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -108.54 128.9 55.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.6 t -132.29 117.57 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 m -103.16 166.83 10.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.439 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.5 p -160.26 172.35 17.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 108.347 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -140.7 26.78 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -125.35 141.27 52.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.68 131.42 49.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 70.03 28.35 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 56' ' ' THR . 30.9 p -75.21 -44.66 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -108.37 123.34 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.29 155.32 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -101.03 173.88 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.53 -154.68 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.554 ' N ' HH21 ' A' ' 36' ' ' ARG . 2.3 tp -54.03 -39.38 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.06 135.16 19.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 47.36 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.651 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -122.47 -42.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -109.4 128.08 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 43.5 p90 -152.88 154.1 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -141.36 -165.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.729 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -97.14 143.99 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 21.4 m -118.0 78.88 13.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 108.364 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.729 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.03 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 30.1 mt-10 -42.09 93.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 30.89 42.54 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.0 mttp -132.32 143.57 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -145.86 -42.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 55' ' ' ASN . 97.7 mt -93.94 166.85 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.422 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.5 m -129.53 151.42 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 4.3 p90 -138.97 157.67 45.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.99 126.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.59 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 2.3 mtp -96.46 123.33 40.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 84.2 m-85 -111.42 144.93 39.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.687 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 ttt -91.56 120.89 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.598 ' O ' ' CB ' ' A' ' 28' ' ' SER . 43.4 mmm 23.09 57.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 27' ' ' MET . 3.1 p 150.23 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.568 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -82.48 -44.04 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -41.16 -54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.3 p -59.51 173.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.88 149.35 90.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.08 153.33 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 26' ' ' MET . 34.6 m -93.72 -34.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.16 164.47 37.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.554 HH21 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -167.1 177.39 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.76 178.7 44.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.58 1.175 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -94.83 156.58 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.444 HD13 ' HG3' ' A' ' 43' ' ' PRO . 4.2 tt -161.65 161.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.91 -32.68 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.34 140.95 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.62 120.56 66.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.283 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HG3' HD13 ' A' ' 39' ' ' ILE . 18.6 Cg_endo -74.97 168.95 23.69 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.772 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -73.91 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 50.5 t30 -74.78 166.36 23.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.7 p -119.41 176.89 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.57 -6.35 49.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.6 -59.34 1.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -105.57 133.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -85.33 135.88 33.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.59 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -106.71 131.78 53.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.5 t -133.06 113.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.05 164.15 12.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.293 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.89 169.11 24.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' HB3' HD22 ' A' ' 20' ' ' LEU . 17.2 p-10 -136.4 22.49 3.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.427 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -123.24 147.35 47.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.589 ' N ' HD23 ' A' ' 1' ' ' LEU . 32.6 m-20 -60.48 141.75 56.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 53.84 33.96 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.427 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 21.3 p -75.73 -38.54 58.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.465 HD21 ' CA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -95.5 119.28 33.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.27 149.27 32.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.255 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.443 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -94.88 170.32 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -95.42 -156.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' N ' HH21 ' A' ' 36' ' ' ARG . 3.4 tt -51.49 -36.61 45.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.4 HG23 HD23 ' A' ' 6' ' ' LEU . 94.3 t -107.77 132.36 21.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 47.23 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.456 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -121.99 -46.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.483 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.75 128.05 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 17.5 p90 -141.87 149.93 40.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.6 -174.03 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.866 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -102.69 135.64 43.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 18' ' ' LYS . 93.6 m -120.59 76.68 27.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.271 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.866 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.99 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.551 ' O ' ' C ' ' A' ' 17' ' ' GLY . 67.3 tt0 -37.85 90.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.72 48.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.57 1.168 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.0 mttm -139.27 68.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -93.43 28.97 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 40' ' ' ASP . 21.4 mt -145.73 127.73 15.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -102.36 147.92 26.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.8 p90 -143.34 155.74 44.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.9 131.08 19.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.594 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -95.79 130.42 42.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' ' HG3' ' A' ' 23' ' ' LYS . 97.4 m-85 -113.66 140.12 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.648 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -90.03 124.19 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.559 ' O ' ' CB ' ' A' ' 28' ' ' SER . 91.1 mtp 41.56 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.3 p 89.76 154.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -104.91 -35.95 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.377 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.1 mt -42.34 -45.94 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' ASP . 67.2 p -67.12 171.9 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -66.12 152.36 94.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.06 167.46 26.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.648 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.5 m -110.18 -35.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -154.52 167.28 30.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.37 177.59 6.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.29 179.15 45.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -94.88 163.86 13.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 5.2 tt -165.47 176.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -104.79 -34.11 8.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.6 144.4 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.24 119.43 55.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.28 27.39 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -71.05 128.82 37.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 46' ' ' SER . 48.0 t30 -74.7 166.36 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.6 p -115.87 179.87 3.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.66 -14.35 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.76 -52.47 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -108.47 137.46 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 139.46 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -110.43 126.99 54.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.5 t -127.01 113.48 32.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 m -105.46 157.88 17.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.56 165.05 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.66 34.17 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.512 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.6 p -130.23 145.8 51.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.57 138.93 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 57.64 30.44 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 56' ' ' THR . 21.6 p -75.01 -35.41 61.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 48.5 p-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.633 1.208 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 33.9 mtpt -104.48 144.43 31.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 96.0 m -145.18 158.33 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.343 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 1.4 m-80 -92.17 165.9 12.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.36 -139.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.4 tm? -58.11 -38.43 76.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 8' ' ' PRO . 67.7 t -107.55 136.02 19.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.0 Cg_endo -75.0 46.8 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.607 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -124.11 -42.84 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -105.4 125.18 50.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 45.0 p90 -148.81 153.37 38.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -144.94 -177.11 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.804 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.77 146.2 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.0 m -117.63 76.93 10.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.804 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.01 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.569 1.826 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 mt-10 -39.15 92.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.28 48.76 0.03 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' GLU . 64.5 mttt -140.08 145.27 37.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -146.95 -38.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 55' ' ' ASN . 72.8 mt -91.74 163.92 13.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -129.61 157.74 41.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 108.249 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 12.8 p90 -143.35 158.14 43.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.13 117.88 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 51' ' ' TYR . 24.2 mtm -87.99 130.08 35.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 33.6 m-85 -118.74 140.39 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.666 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 ttt -87.89 126.39 35.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 46.53 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.5 m 65.02 148.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -93.45 -20.94 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -45.22 -28.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.6 p -94.73 172.41 8.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -62.51 150.65 85.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 -179.82 5.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 26' ' ' MET . 8.5 m -117.07 -35.0 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -151.32 162.81 40.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG3' ' ND2' ' A' ' 60' ' ' ASN . 7.8 ptp180 -166.56 131.1 2.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.87 -171.39 14.61 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 m -98.78 151.73 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 tt -154.64 162.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -97.11 -31.77 12.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -136.55 135.66 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.61 119.28 58.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.86 15.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.58 130.02 39.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 46' ' ' SER . 31.6 t30 -74.71 147.73 41.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.9 p -91.0 171.19 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -25.2 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 -49.69 6.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.254 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -102.44 158.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' CD ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -112.69 132.18 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.5 m-30 -102.57 115.92 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' CD ' ' A' ' 50' ' ' LYS . 2.5 t -116.02 110.58 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.9 m -94.44 165.07 12.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -157.78 173.84 16.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.475 ' HB3' HD22 ' A' ' 20' ' ' LEU . 28.8 p30 -144.61 17.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 67.4 p -111.22 138.07 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' N ' HD23 ' A' ' 1' ' ' LEU . 5.6 m-20 -61.58 122.08 14.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 29.8 mtp180 80.87 30.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 56' ' ' THR . 16.8 p -75.08 -41.92 57.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.4 p-10 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.828 HD11 ' N ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 13.4 mtmm -103.17 147.96 26.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -145.46 158.67 43.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.57 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 47.0 m-80 -90.53 169.76 10.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -142.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.595 HD23 HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -54.97 -26.17 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.595 HG23 HD23 ' A' ' 6' ' ' LEU . 87.7 t -125.72 136.27 28.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.1 Cg_endo -75.03 46.75 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.754 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 tp -122.0 -36.01 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.49 118.61 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.416 ' HB3' ' CG ' ' A' ' 4' ' ' ASN . 30.7 p90 -136.32 145.38 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.81 174.62 9.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.824 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -85.12 144.57 28.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.3 m -117.88 76.85 11.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.341 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.824 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.09 -45.21 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 17' ' ' GLY . 20.8 tt0 -37.98 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 26.06 46.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' GLU . 33.8 mttt -140.52 146.54 38.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 1' ' ' LEU . 13.4 t-20 -147.07 -37.04 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 55' ' ' ASN . 66.5 mt -91.21 161.29 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -130.63 159.23 37.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 17.2 p90 -144.48 154.49 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -138.98 122.5 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.585 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.09 131.92 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 95.8 m-85 -116.64 145.8 43.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.504 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.2 ttp -83.52 134.99 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.5 mmt 62.32 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' MET . 23.2 m -125.9 159.11 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.429 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -82.85 -31.68 27.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -45.95 -28.73 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.7 p -91.18 173.49 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.41 148.73 79.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.627 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 160.52 40.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 24' ' ' MET . 3.7 m -94.65 -33.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HG2' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -164.21 168.71 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -164.28 148.98 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.7 -175.56 27.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -97.79 149.76 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tt -154.04 167.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.96 -32.16 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.607 1.192 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.9 p -132.85 137.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -65.9 120.79 71.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.44 20.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -75.12 131.22 40.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 50' ' ' LYS . 41.3 t30 -74.97 165.64 24.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -120.88 176.35 5.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.056 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -92.38 -11.0 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -95.16 -55.9 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.57 137.97 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.5 tptt -87.65 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.83 122.26 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -126.71 119.65 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.3 m -99.41 169.18 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 2.2 p -158.68 173.99 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB3' HD22 ' A' ' 20' ' ' LEU . 42.5 p-10 -149.79 21.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.744 ' C ' HD11 ' A' ' 1' ' ' LEU . 69.7 p -119.61 143.97 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.828 ' N ' HD11 ' A' ' 1' ' ' LEU . 15.8 m-20 -60.55 128.21 35.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 71.37 33.0 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.323 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.8 p -74.53 -44.77 49.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 40.4 p-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.473 HD11 ' SG ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -99.41 125.49 45.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.1 m -109.44 148.96 30.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -93.79 165.79 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.464 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -95.19 -151.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.412 HD23 HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -55.78 -32.75 63.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.532 HG12 HG22 ' A' ' 9' ' ' ILE . 73.9 t -115.38 135.26 22.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 47.02 1.64 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.532 HG22 HG12 ' A' ' 7' ' ' VAL . 6.3 tp -121.79 -44.05 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.59 139.8 44.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -154.46 156.12 36.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 174.03 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.871 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -89.55 133.17 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 28.4 m -120.73 76.79 28.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.871 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.03 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 tp10 -37.9 92.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.76 51.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -143.78 63.97 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 0.739 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.401 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 24.5 t30 -93.5 27.98 2.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 40' ' ' ASP . 45.8 mt -145.54 126.3 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' HD11 ' A' ' 1' ' ' LEU . 3.6 m -100.09 155.01 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 8.2 p90 -145.15 156.62 43.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.36 120.49 10.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.859 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -91.28 128.8 37.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 96.4 m-85 -114.47 145.23 42.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.512 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -84.71 135.96 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt 61.73 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -125.93 163.16 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.24 -35.99 19.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -41.26 -53.48 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' ASP . 73.0 p -66.17 176.04 1.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.79 148.23 87.82 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 172.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 24' ' ' MET . 30.4 m -101.71 -33.35 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.82 166.85 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -162.79 150.12 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.74 -165.37 16.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -98.6 158.26 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 3.8 tt -165.06 176.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.244 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.509 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -114.11 -30.21 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 t -132.53 137.53 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.33 118.75 56.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.44 35.32 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -75.93 164.26 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 11.5 m-20 -73.58 149.3 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 47' ' ' LEU . 15.0 p -77.18 -134.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.54 -60.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 47' ' ' LEU . 2.6 mm? -127.05 11.92 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 25' ' ' PHE . 3.6 t -104.27 133.38 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 137.18 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 44' ' ' LYS . 3.3 m-85 -110.23 113.27 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -109.46 157.1 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.16 162.8 34.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.85 170.8 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 108.354 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 18.3 p30 -137.5 28.13 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.1 p -129.68 143.26 50.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 1' ' ' LEU . 1.9 m-20 -60.56 135.81 57.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 64.18 29.07 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.432 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.0 p -75.15 -41.4 58.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.488 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 53.4 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.515 HD21 ' SG ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 5.3 mtmp? -96.55 120.0 36.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 m -109.13 146.34 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.514 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.1 m-20 -92.81 175.86 6.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.603 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -95.55 -153.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.65 -35.34 65.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 8' ' ' PRO . 70.5 t -109.64 137.93 20.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -124.42 -53.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -98.89 122.4 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.3 p90 -146.47 156.22 43.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -143.54 -174.25 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.919 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -92.66 144.7 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.8 m -120.15 75.44 22.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.919 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -75.02 -42.47 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.443 1.759 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 2.7 tm-20 -41.49 92.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 31.47 44.93 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 16' ' ' GLU . 2.0 mmtp -137.36 134.06 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -146.54 18.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 60.6 mt -145.68 157.29 43.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' SG ' HD21 ' A' ' 1' ' ' LEU . 3.5 m -126.13 152.11 46.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.0 p90 -145.64 158.21 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.622 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.7 131.05 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.635 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 32.3 mtm -98.36 132.2 44.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.629 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -117.29 145.26 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.512 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 2.9 ttm -83.69 133.55 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 62.37 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.1 m -123.93 163.59 21.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.02 -35.4 20.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -42.0 -50.77 4.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.9 p -66.84 179.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.36 149.25 98.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.629 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.92 170.21 20.91 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.557 1.819 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.3 m -104.71 -40.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -156.14 174.62 15.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.79 174.33 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . 172.05 -177.79 44.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.79 155.8 16.65 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.509 ' CA ' ' HD3' ' A' ' 18' ' ' LYS . 3.4 tt -155.63 169.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.34 -34.84 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.33 138.78 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.77 118.02 53.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.26 18.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 131.44 40.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 46' ' ' SER . 31.0 t30 -75.3 165.73 24.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 91.5 p -120.51 178.3 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.063 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.05 -14.43 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.38 -50.99 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -116.63 139.02 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 25' ' ' PHE . 11.7 tppt? -90.96 137.34 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.635 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-30 -107.14 133.06 52.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -98.76 159.31 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.05 170.8 20.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 108.305 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.485 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 48.8 p-10 -140.47 34.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.506 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 8.0 p -132.27 144.78 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -62.15 133.16 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.1 mtm-85 64.79 29.84 12.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.471 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 31.4 p -75.25 -27.74 59.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 53.1 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' ASP . 13.6 mtpt -105.44 145.44 30.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 91.5 m -145.17 156.48 43.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.572 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 44.2 m-80 -89.16 170.27 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -140.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.773 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.4 tm? -53.63 -32.16 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.472 HG13 ' HD2' ' A' ' 8' ' ' PRO . 84.4 t -120.56 137.56 26.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.572 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.95 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 tp -123.23 -34.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.17 121.36 41.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 30.0 p90 -137.79 148.79 45.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 175.36 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.873 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -87.64 136.18 33.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.4 m -119.75 76.17 20.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.873 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.04 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.5 mm-40 -36.08 89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 22.77 49.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 mtpp -138.8 74.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.637 ' O ' HD23 ' A' ' 20' ' ' LEU . 19.0 t30 -92.99 17.99 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 19' ' ' ASN . 87.1 mt -136.73 154.57 50.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -130.25 158.77 38.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.717 ' CA ' ' HZ3' ' A' ' 23' ' ' LYS . 23.9 p90 -145.61 158.39 43.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.717 ' HZ3' ' CA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -142.87 125.56 15.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -97.84 125.55 42.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.619 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -112.85 143.53 43.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.674 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.5 ttm -85.2 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 61.89 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.677 ' OG ' HG23 ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.19 161.86 13.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.932 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.13 -39.31 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.3 mt -44.39 -33.5 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.677 HG23 ' OG ' ' A' ' 28' ' ' SER . 81.7 p -75.16 -179.75 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -70.4 147.94 95.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.619 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.03 154.05 42.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.674 HG11 ' HB2' ' A' ' 26' ' ' MET . 35.7 m -96.17 -34.24 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 2.1 pttm -151.85 162.94 40.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.92 -174.1 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 36' ' ' ARG . . . 162.7 -177.08 38.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.73 161.71 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 tt -164.86 171.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.5 t70 -108.5 -33.61 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.5 p -129.23 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 t -69.35 120.65 78.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 164.66 32.97 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -69.9 131.93 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.529 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 24.9 t30 -73.74 144.54 45.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.9 p -91.97 -179.51 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.32 -15.17 18.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.24 -52.04 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.5 t -106.38 138.67 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -87.12 133.73 33.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.56 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-30 -104.76 126.9 52.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -130.73 121.03 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.2 m -106.95 164.17 12.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 108.343 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.1 p -155.7 172.3 18.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -145.3 36.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.5 p -136.31 152.54 50.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 23.9 m-20 -61.59 141.41 57.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 50.27 36.81 13.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.35 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.1 p -75.71 -23.96 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 49.6 p30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 19' ' ' ASN . 13.0 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -98.8 127.6 44.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -117.9 143.95 45.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.245 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 58' ' ' ARG . 34.0 m-80 -83.92 168.74 15.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 -149.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.1 tt -55.18 -27.6 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 8' ' ' PRO . 72.0 t -118.04 137.47 24.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.08 47.23 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.521 HG23 ' N ' ' A' ' 10' ' ' ALA . 7.8 tp -120.19 -56.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.47 138.23 37.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.425 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 15.0 p90 -145.59 144.81 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 172.27 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.796 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -90.12 129.99 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.515 ' O ' ' O ' ' A' ' 18' ' ' LYS . 55.2 m -118.32 78.68 14.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.796 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.95 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.6 mm-40 -37.49 89.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.08 49.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 14' ' ' CYS . 7.5 mttp -138.99 71.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.773 ' O ' HD22 ' A' ' 1' ' ' LEU . 37.8 t30 -92.7 -0.25 57.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.27 138.56 50.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.772 ' SG ' HD23 ' A' ' 1' ' ' LEU . 6.8 m -114.73 154.31 28.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 6.1 p90 -143.48 158.91 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 2.0 pttt -145.52 122.25 11.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.529 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -93.45 121.26 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -108.16 142.54 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.547 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 ttt -84.76 133.01 34.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.3 mtp 63.41 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -123.18 160.23 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -88.11 -36.79 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -42.45 -46.43 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' ASP . 77.2 p -68.38 174.77 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -64.45 151.06 92.28 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.7 Cg_endo -74.85 166.66 28.8 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.547 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.1 m -113.23 -46.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.355 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -142.18 159.32 42.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.81 178.08 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 171.78 -173.01 44.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.62 161.91 13.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.55 178.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.83 -45.19 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.7 t -121.95 138.78 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -64.73 120.86 69.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 170.7 19.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 127.73 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 46' ' ' SER . 47.9 t30 -75.53 166.63 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 80.6 p -124.88 -177.8 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.11 -12.72 21.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -44.51 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -125.82 135.05 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -85.58 137.87 32.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -110.24 124.61 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.2 t -126.44 110.13 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 63.4 m -99.05 164.11 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.252 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -159.51 168.0 27.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 108.261 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.59 ' OD1' HG23 ' A' ' 56' ' ' THR . 48.1 p-10 -134.15 19.41 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.638 ' C ' HD11 ' A' ' 1' ' ' LEU . 11.0 p -118.76 142.78 47.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.522 ' N ' HD11 ' A' ' 1' ' ' LEU . 3.2 m-20 -60.78 137.98 58.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' HA ' ' ND2' ' A' ' 4' ' ' ASN . 26.1 mtp180 62.38 29.36 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 24.6 p -75.74 -31.33 59.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.9 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.503 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.503 ' H ' HD13 ' A' ' 1' ' ' LEU . 9.5 mtmt -126.2 120.19 29.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.93 145.4 42.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 171.25 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.96 -154.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -54.34 -32.67 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.456 HG12 HG22 ' A' ' 9' ' ' ILE . 54.2 t -110.84 130.72 22.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 46.86 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.456 HG22 HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -122.03 -42.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.46 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.88 129.22 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -145.53 154.13 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 169.73 16.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.209 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.791 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.73 133.43 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 18' ' ' LYS . 65.6 m -118.2 78.56 13.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.791 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -74.99 -48.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 1.6 mt-10 -38.02 91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 24.0 51.13 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.7 mttt -143.61 65.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 0.819 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.459 ' O ' HD23 ' A' ' 20' ' ' LEU . 25.5 t30 -94.39 26.82 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 40' ' ' ASP . 38.3 mt -142.9 126.55 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -101.63 154.46 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.445 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -145.98 151.98 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.673 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.58 118.91 8.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mpp? -93.98 133.12 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 98.6 m-85 -114.56 150.53 34.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.52 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 3.1 ttm -83.48 131.22 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' MET . 21.1 mmm 62.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -118.74 163.1 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -85.14 -38.19 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -40.52 -52.96 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.7 p -61.37 173.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.428 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -63.99 150.86 90.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.603 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.03 162.63 36.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.801 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.52 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.9 m -101.09 -35.76 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 26.9 tttt -157.47 153.24 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.515 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -165.12 140.06 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.35 -152.45 6.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -107.14 157.99 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 3.9 tt -162.58 177.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.544 ' O ' HD12 ' A' ' 20' ' ' LEU . 11.9 t70 -115.82 -34.74 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.41 137.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.6 t -75.52 119.57 77.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.84 34.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -68.8 131.5 45.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 46' ' ' SER . 42.3 t30 -75.6 166.25 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.585 1.178 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -127.98 172.45 10.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -84.14 -21.82 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.949 HD22 HD23 ' A' ' 47' ' ' LEU . 4.3 mm? -77.63 -59.68 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 25' ' ' PHE . 2.9 t -114.61 134.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -85.82 138.66 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-85 -109.31 130.52 55.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.5 t -130.86 110.92 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.6 m -101.95 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.63 174.04 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 108.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.38 16.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 8.0 p -113.14 145.21 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.67 140.93 58.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 58.44 28.57 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 28.8 p -76.63 -23.28 53.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.236 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.5 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.442 HD21 ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 6.3 mtpp -95.31 120.06 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.5 m -113.31 156.8 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.6 m-20 -102.54 171.46 7.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.03 -145.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.798 HD13 HH11 ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.67 -54.59 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.531 HG13 ' HD2' ' A' ' 8' ' ' PRO . 73.8 t -95.91 138.83 21.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.204 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.531 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.0 Cg_endo -75.05 47.26 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.802 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -122.69 -42.01 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -107.53 125.17 50.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 41.2 p90 -153.1 154.39 34.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 13.3 ptmt -142.32 -168.65 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.628 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -95.01 144.42 25.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.9 m -117.59 80.65 13.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.628 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.04 -43.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 17' ' ' GLY . 38.4 tt0 -40.18 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.61 47.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.078 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 14' ' ' CYS . 3.3 mttp -138.58 133.6 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.503 ' O ' HD23 ' A' ' 20' ' ' LEU . 12.4 t-20 -144.82 15.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 19' ' ' ASN . 75.7 mt -145.76 153.75 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -119.28 148.02 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 108.384 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 2.1 p90 -138.83 156.6 47.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -141.27 129.53 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.612 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 2.4 mtp -101.05 124.34 46.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.0 m-85 -108.34 144.58 35.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -84.39 135.56 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' MET . 48.0 mmm 62.69 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.5 m -124.55 161.88 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.451 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -90.05 -33.46 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.07 -50.33 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 65.8 p -70.02 174.5 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -61.27 150.31 80.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.616 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 24' ' ' MET . 2.2 m -115.12 -41.76 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 164.7 33.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.798 HH11 HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -166.39 153.34 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.2 -172.3 29.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 m -97.71 160.45 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.4 tt -165.49 161.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -96.54 -32.86 12.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.7 140.78 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.84 126.42 91.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 108.307 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.66 3.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 47.0 mtmt -75.54 130.74 39.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.518 ' ND2' ' HB2' ' A' ' 51' ' ' TYR . 4.4 t-20 -75.56 128.19 34.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -93.31 163.49 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.926 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -29.24 22.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -50.84 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -114.69 136.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -84.79 133.81 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.055 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.612 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-30 -104.53 128.71 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.2 t -130.49 118.13 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.181 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -108.02 155.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.5 168.17 28.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 108.342 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 6.4 p30 -132.41 27.47 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.0 p -116.54 141.99 47.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -63.53 129.48 40.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 65.65 34.75 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.226 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 56' ' ' THR . 14.5 p -75.68 -33.13 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.609 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.609 ' H ' HD13 ' A' ' 1' ' ' LEU . 38.9 mtpt -116.18 121.19 41.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -112.13 145.24 40.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -95.15 165.77 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -84.98 -153.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.638 HD12 ' NH1' ' A' ' 36' ' ' ARG . 2.7 tp -54.34 -43.57 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.451 HG13 ' HD2' ' A' ' 8' ' ' PRO . 25.5 t -101.43 136.25 19.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.451 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.96 46.79 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -120.63 -47.83 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.532 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -104.59 129.46 52.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.498 ' CZ ' ' HD3' ' A' ' 58' ' ' ARG . 37.5 p90 -154.73 154.42 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -142.95 -179.52 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.648 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.93 143.86 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.0 m -117.88 80.43 14.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.648 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.07 -42.22 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 6.6 mm-40 -38.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.19 46.24 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 18.2 mttt -140.43 137.58 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -145.53 16.18 1.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 40' ' ' ASP . 59.1 mt -146.44 158.19 43.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.6 m -121.82 154.01 37.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -145.56 151.39 38.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -139.26 126.85 21.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.806 ' O ' HG22 ' A' ' 34' ' ' VAL . 26.1 mtm -96.94 130.12 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.642 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 86.6 m-85 -115.38 146.92 41.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.532 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -86.96 128.87 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.3 mtm 60.77 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' MET . 33.3 p -108.32 157.52 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.477 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -93.62 -42.07 9.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ASP . 15.8 mt -40.36 -52.85 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' ASP . 59.4 p -61.43 179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.97 142.22 98.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.642 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.8 Cg_endo -74.92 171.48 18.21 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 24' ' ' MET . 17.9 m -94.91 -35.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -170.23 172.04 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.638 ' NH1' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -164.33 154.99 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.49 -164.66 15.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.5 m -106.38 157.25 17.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 tt -161.12 166.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.8 t0 -96.66 -37.74 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.99 138.26 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.09 121.17 74.94 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 169.44 22.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 132.33 42.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.4 166.45 23.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.9 p -120.53 178.88 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 -9.81 32.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.17 -55.77 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.83 136.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -85.34 137.95 32.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 0.0 109.208 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -109.5 123.03 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.36 114.68 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.7 161.35 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 1.7 p -155.0 172.22 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 27.5 p-10 -143.76 21.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -117.63 122.31 43.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' N ' HD11 ' A' ' 1' ' ' LEU . 11.3 m-20 -45.16 124.96 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 1.7 mtm105 75.47 30.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 17.6 p -75.63 -38.17 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.251 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 43.3 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.1 OUTLIER -109.32 144.98 36.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.386 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -145.43 159.23 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.57 ' ND2' ' HB3' ' A' ' 11' ' ' TYR . 2.2 m120 -91.99 167.96 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.81 -141.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.444 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 2.4 tp -57.59 -24.09 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.538 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.1 t -124.8 139.25 32.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.538 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.92 47.41 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.529 HG23 ' N ' ' A' ' 10' ' ' ALA . 1.9 tp -123.74 -56.92 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -93.9 108.36 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.57 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 48.4 p90 -134.45 151.02 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -144.42 -178.67 6.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.72 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.82 147.65 26.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.5 m -117.74 78.2 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 108.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.72 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.8 mt-10 -40.25 93.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 25.98 48.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.6 mttt -139.87 145.77 38.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -147.32 -39.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 55' ' ' ASN . 80.2 mt -92.2 164.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.19 160.86 34.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -144.59 159.52 42.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HE2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -143.15 119.9 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CD1' ' A' ' 51' ' ' TYR . 35.6 mtm -91.68 128.55 37.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.631 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 93.1 m-85 -116.43 145.98 42.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.498 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.99 133.77 34.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' MET . 12.8 mtt 62.2 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -123.23 161.04 25.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -86.6 -32.24 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -44.4 -36.76 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.5 p -82.79 172.16 13.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.86 148.11 77.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.631 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.96 166.39 29.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 8.6 m -101.33 -35.26 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -157.81 165.91 34.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 1.5 ptt180 -165.91 152.44 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.34 -172.25 32.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.19 151.05 20.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -154.33 162.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -99.42 -30.88 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.79 134.75 53.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.63 119.46 57.44 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 108.36 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.81 132.63 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.506 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 33.7 t30 -74.78 149.75 39.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.3 p -105.27 154.34 20.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -12.43 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 48' ' ' LEU . 3.9 mm? -94.62 -43.91 8.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.7 t -121.65 138.83 50.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.8 tptp -86.36 132.48 33.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 3.8 m-30 -105.66 114.45 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.58 114.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.3 m -97.07 169.55 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 p -157.41 172.76 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.273 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.589 ' OD1' HG23 ' A' ' 56' ' ' THR . 40.6 p30 -144.51 18.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' OD1' ' A' ' 55' ' ' ASN . 31.7 p -119.09 145.75 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' N ' HD23 ' A' ' 1' ' ' LEU . 15.2 m-20 -61.02 136.87 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 63.52 30.83 15.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.409 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 24.1 p -75.38 -18.61 59.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 35.7 p-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.453 HD21 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -103.84 119.3 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 3.6 m -102.45 154.99 18.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -83.23 154.99 23.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.587 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -151.01 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 9.4 tt -49.82 -40.0 40.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.597 HG13 ' HD2' ' A' ' 8' ' ' PRO . 72.5 t -108.12 140.4 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.05 47.38 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.567 HG22 HG12 ' A' ' 7' ' ' VAL . 7.7 tp -127.04 -48.26 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -104.04 136.31 43.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 1.1 p90 -134.67 144.86 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 164.8 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.713 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -91.23 125.09 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.498 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' O ' ' A' ' 18' ' ' LYS . 74.2 m -118.04 80.05 14.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.713 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.1 Cg_endo -75.02 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.0 mp0 -38.04 90.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.97 48.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.5 mttm -136.48 72.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.52 ' O ' HD22 ' A' ' 20' ' ' LEU . 28.4 t30 -93.44 0.03 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -117.26 154.27 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.2 p90 -142.33 160.58 39.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.89 129.37 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.576 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -101.55 121.34 41.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 91.1 m-85 -107.83 136.97 46.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.725 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -84.71 126.11 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.948 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' SER . 4.6 mtt 43.54 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.4 t 91.37 150.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -96.67 -36.12 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.8 mt -42.3 -45.84 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 1.058 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' ASP . 68.5 p -63.88 172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -67.93 152.38 96.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.373 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.74 ' HB2' HH11 ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.95 159.57 41.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG11 ' HB2' ' A' ' 26' ' ' MET . 32.6 m -113.73 -38.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 1.6 pttt -144.11 159.26 42.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.74 HH11 ' HB2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -166.48 175.1 8.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.31 -177.92 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.71 164.3 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 tt -165.89 177.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 10.5 p-10 -110.55 -37.87 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 146.07 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.26 119.96 60.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.293 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.34 12.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -71.18 127.85 33.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 46' ' ' SER . 60.1 t-20 -75.06 147.5 40.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 63.3 p -106.82 158.76 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.4 -30.6 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.65 -53.74 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -108.73 135.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -86.13 129.93 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-30 -100.94 137.05 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.1 t -139.49 115.76 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.6 m -100.47 168.46 9.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 108.263 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -164.25 172.67 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -141.61 17.71 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 9.9 p -116.19 128.61 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' N ' HD21 ' A' ' 1' ' ' LEU . 4.4 m-20 -50.95 128.75 22.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 72.42 29.69 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 12.7 p -74.9 -44.14 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.54 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.54 ' H ' HD13 ' A' ' 1' ' ' LEU . 34.6 mtmt -123.25 122.84 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -113.82 149.26 35.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.7 169.37 8.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -89.86 -161.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -49.42 -33.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.693 HG12 HG22 ' A' ' 9' ' ' ILE . 81.0 t -111.09 129.8 23.62 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 47.1 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.693 HG22 HG12 ' A' ' 7' ' ' VAL . 8.0 tp -120.28 -40.08 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.41 124.5 49.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 14.2 p90 -142.79 157.78 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 174.73 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.916 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -85.96 142.84 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.7 m -119.9 75.74 21.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.916 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.97 -45.28 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -35.48 94.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.4 45.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.9 mttp -140.96 135.79 31.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 0.765 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -145.9 18.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.8 mt -145.05 153.84 41.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -121.59 153.87 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.351 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 2.6 p90 -143.07 152.09 41.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 128.52 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.625 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 44.9 mtm -97.41 127.1 43.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.7 m-85 -113.12 144.55 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.8 ttt -83.94 134.91 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 63.07 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -124.88 162.42 24.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -87.05 -35.12 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 30' ' ' LEU . 18.2 mt -42.61 -45.6 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.9 p -72.39 171.72 11.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -60.47 149.49 77.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.637 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.01 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 24' ' ' MET . 5.9 m -107.7 -38.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.56 171.16 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 5.7 ptp180 -165.5 165.91 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.346 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.65 -179.41 43.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 m -93.65 160.53 14.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -164.82 167.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -106.76 -29.04 9.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.17 131.5 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.08 120.64 68.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 108.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.16 18.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.569 1.826 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -74.69 128.21 35.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -75.19 165.65 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -126.02 -173.03 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -12.22 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.66 -53.54 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -122.23 138.77 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -87.6 135.28 33.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.625 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-30 -105.8 127.1 52.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.571 1.169 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.3 t -129.93 114.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.6 m -101.7 162.92 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.6 172.15 18.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.617 1.198 . . . . 0.0 108.289 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -137.66 23.35 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.451 ' C ' HD11 ' A' ' 1' ' ' LEU . 9.9 p -124.12 141.74 51.8 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.53 136.22 57.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 65.07 27.57 12.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.375 1.047 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.449 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -75.47 -20.73 58.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' C ' ' NH2' ' A' ' 36' ' ' ARG . 47.9 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 24.1 tp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -117.57 144.23 45.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -89.08 166.2 14.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -90.81 -152.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.15 -37.66 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.71 HG12 HG22 ' A' ' 9' ' ' ILE . 79.0 t -107.36 133.84 20.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.9 47.05 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.089 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.71 HG22 HG12 ' A' ' 7' ' ' VAL . 3.9 tp -122.73 -45.77 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.82 134.25 50.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -147.03 146.31 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -123.42 167.37 13.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.83 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.83 131.38 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.398 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.9 m -119.38 77.13 18.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.83 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.98 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 17' ' ' GLY . 42.3 tt0 -38.15 91.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.19 52.7 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 111.078 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 8.7 mttm -144.93 65.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -94.54 28.95 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 40' ' ' ASP . 27.1 mt -144.8 128.38 17.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.449 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 5.6 m -103.23 154.97 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 7.5 p90 -145.41 153.5 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.11 118.31 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.588 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.32 127.86 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 90.2 m-85 -112.77 146.75 38.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.621 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.3 ttp -83.57 136.71 34.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.6 mtp 62.32 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -123.98 165.22 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.22 -35.9 14.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.99 -49.47 4.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 p -65.62 178.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.4 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.62 150.16 97.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 169.81 21.79 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.446 1.761 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.621 HG11 ' HB2' ' A' ' 26' ' ' MET . 11.8 m -115.36 -39.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -145.7 150.25 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -167.31 146.28 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.43 -162.14 13.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -97.73 162.16 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 4.1 tt -165.39 177.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.808 ' O ' HD12 ' A' ' 20' ' ' LEU . 51.8 t0 -107.91 -51.33 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.8 t -121.26 138.79 50.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 t -64.86 121.66 74.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.87 15.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -68.07 129.21 39.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 47.4 t-20 -75.21 131.28 40.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.465 ' C ' HD13 ' A' ' 47' ' ' LEU . 63.8 p -87.46 165.66 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.827 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -86.04 -30.37 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.14 -49.24 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.93 135.78 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 131.39 34.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -103.88 119.85 39.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.59 110.99 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.8 m -100.16 161.48 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 108.214 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.99 168.01 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.486 ' OD1' HG23 ' A' ' 56' ' ' THR . 33.1 p-10 -133.87 17.31 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.486 HG23 ' OD1' ' A' ' 55' ' ' ASN . 8.6 p -115.31 140.62 48.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.93 137.33 58.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 63.42 28.17 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.465 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -74.83 -36.81 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 49.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.648 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.648 ' H ' HD13 ' A' ' 1' ' ' LEU . 6.7 mttm -123.73 122.08 37.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -113.73 144.5 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -92.75 178.97 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -96.33 -150.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.872 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.2 tm? -59.34 -33.2 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.596 HG12 HG22 ' A' ' 9' ' ' ILE . 61.7 t -114.43 136.87 22.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 47.66 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.596 HG22 HG12 ' A' ' 7' ' ' VAL . 4.2 tp -121.32 -43.21 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.71 118.67 35.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 31.4 p90 -144.17 157.05 44.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 -175.71 4.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.6 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -88.63 145.98 25.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.6 m -117.04 80.85 11.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.6 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.93 -44.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.506 ' O ' ' C ' ' A' ' 17' ' ' GLY . 41.0 mt-10 -40.85 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.35 45.83 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mttp -137.36 146.28 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 1' ' ' LEU . 16.4 t30 -147.41 -39.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 79.3 mt -91.64 159.59 15.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.4 m -125.41 156.45 38.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 108.262 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.8 p90 -144.77 156.28 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 14.3 pttt -145.78 113.88 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.576 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -85.77 134.77 33.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 41.6 m-85 -122.99 148.42 45.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.533 ' HB2' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -90.78 129.71 36.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.941 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' MET . 17.6 mtp 38.17 95.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' MET . 19.5 m 66.19 127.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.474 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -67.22 -23.03 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.9 mt -40.69 -53.34 2.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ASP . 60.4 p -69.99 175.74 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.86 147.96 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.99 168.32 25.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 24' ' ' MET . 4.3 m -97.83 -41.6 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 18.1 tttm -166.25 168.48 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -158.87 161.4 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . -170.05 -171.39 35.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.591 1.182 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -100.15 152.3 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -155.34 157.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.89 -32.07 17.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.43 135.72 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -64.88 121.79 75.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.572 1.828 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -65.24 129.12 38.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 31.0 t-20 -75.31 132.71 41.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -89.36 162.38 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -28.86 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.31 -51.41 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.4 136.27 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -84.59 132.11 34.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -104.75 103.45 13.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.4 t -105.17 105.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -94.34 169.11 10.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -162.14 174.8 12.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 108.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 38.4 p-10 -146.17 20.14 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.443 ' C ' HD11 ' A' ' 1' ' ' LEU . 16.4 p -118.33 140.29 50.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 12.1 m-20 -59.74 126.29 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 6.5 mtm180 77.41 26.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.7 p -75.42 -39.58 58.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.375 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HOH . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.466 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 1.6 mtpt -105.24 140.71 37.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.7 m -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 108.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.549 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 8.1 m-80 -92.69 164.99 13.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.383 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.43 -143.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.542 HD23 HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -51.34 -39.24 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.542 HG23 HD23 ' A' ' 6' ' ' LEU . 53.1 t -111.11 136.54 20.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.05 46.95 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.832 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -119.96 -41.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -111.1 126.24 54.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -144.49 152.1 40.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.4 171.82 13.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.858 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.49 137.37 33.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' LYS . 37.6 m -118.48 77.06 13.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.253 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.858 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.1 Cg_endo -75.1 -47.88 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 21.3 tt0 -36.45 89.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 23.2 49.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' GLU . 34.4 mttm -140.91 70.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.2 t30 -92.71 23.25 4.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 40' ' ' ASP . 49.2 mt -138.36 151.69 47.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 64.3 m -126.69 157.78 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.54 155.87 43.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.38 119.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.611 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 35.7 mtm -94.33 126.43 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 88.4 m-85 -112.75 146.42 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -83.51 134.99 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.87 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -117.62 167.66 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -95.32 -33.97 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.4 mt -44.91 -37.88 4.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ASP . 70.1 p -78.06 174.83 10.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.11 148.6 95.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.8 m -111.15 -34.55 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 5.8 tptm -152.4 155.57 37.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -166.42 141.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.71 -168.09 19.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -94.77 162.1 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 tt -165.46 176.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.807 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.2 t0 -109.94 -46.77 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.67 137.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.4 121.85 78.84 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 170.54 20.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 130.95 44.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 28.6 t30 -75.71 139.42 41.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 60.3 p -94.58 170.78 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -29.3 19.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.94 -55.71 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -105.8 136.59 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -84.77 132.81 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.06 117.98 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.12 112.79 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.369 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.1 m -96.25 159.84 14.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 108.347 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 p -154.88 169.21 24.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.312 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 10.7 p-10 -147.44 37.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.083 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.449 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 17.0 p -130.82 145.46 51.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.76 124.61 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 73.48 32.45 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.351 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 21.4 p -76.7 -44.18 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.328 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.0 p-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.516 HD11 ' SG ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -94.93 123.1 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -114.73 152.54 31.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -96.47 166.91 11.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.79 -146.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 tp -53.54 -45.64 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.51 HG13 ' HD2' ' A' ' 8' ' ' PRO . 78.4 t -107.37 137.82 19.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -74.95 46.66 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.783 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -120.69 -36.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.495 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.69 126.09 51.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -141.52 147.6 38.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CE ' ' O ' ' A' ' 13' ' ' THR . 7.9 ptmt -122.15 179.89 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.868 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -99.34 131.41 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.379 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LYS . 68.1 m -119.87 76.82 21.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.868 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.95 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.6 mt-10 -37.81 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.68 51.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 14' ' ' CYS . 10.2 mtmt -145.24 64.25 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.407 ' C ' HD23 ' A' ' 1' ' ' LEU . 62.9 t30 -93.92 29.52 2.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.049 HD12 ' O ' ' A' ' 40' ' ' ASP . 64.8 mt -142.8 124.17 14.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.516 ' SG ' HD11 ' A' ' 1' ' ' LEU . 3.9 m -99.41 155.44 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 4.7 p90 -144.29 155.11 43.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -142.97 124.66 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.596 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -99.37 126.28 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 92.4 m-85 -111.66 145.92 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.02 135.13 34.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.384 1.052 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.7 mtt 62.87 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.2 t -121.96 165.25 16.27 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.462 1.101 . . . . 0.0 109.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.29 -36.09 14.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -42.06 -45.82 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.4 p -67.29 -178.44 0.83 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -71.95 151.03 92.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 155.42 43.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 24' ' ' MET . 3.2 m -95.89 -39.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.89 159.98 44.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.43 152.77 8.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.95 -166.91 25.75 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -96.55 161.06 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.9 tt -165.09 176.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.227 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 1.049 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.3 t0 -105.36 -46.21 4.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.8 t -129.14 143.94 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.88 125.08 89.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.256 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.56 2.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mtmt -74.91 132.55 41.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.29 126.43 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' VAL . 72.4 p -90.23 151.62 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.81 58.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -48.49 22.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.3 t -118.02 136.96 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -84.35 133.89 34.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-30 -104.44 129.74 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -134.31 117.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -108.09 161.39 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.65 169.4 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 14.2 p-10 -136.88 30.93 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 7.8 p -129.92 147.41 51.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -61.19 141.38 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mtm105 52.49 34.16 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.472 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.4 p -76.0 -37.33 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.6 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.486 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.486 ' H ' HD13 ' A' ' 1' ' ' LEU . 12.3 mttt -118.75 125.49 49.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 m -117.79 143.07 46.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.1 m-20 -96.29 172.95 7.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.95 -150.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.692 HD12 HH22 ' A' ' 36' ' ' ARG . 6.9 tt -51.22 -48.63 62.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.45 HG13 ' HD2' ' A' ' 8' ' ' PRO . 38.3 t -101.1 136.22 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 47.3 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.75 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.414 HD13 ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -119.72 -45.09 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.95 129.21 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 27.2 p90 -146.7 153.45 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 172.81 9.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.807 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -94.06 133.1 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' LYS . 89.1 m -118.71 78.85 15.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.807 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.94 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -39.89 91.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.75 49.78 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 14' ' ' CYS . 11.0 mtpt -138.5 66.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -93.77 26.33 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.942 HD12 ' O ' ' A' ' 40' ' ' ASP . 36.3 mt -145.14 129.09 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 28.0 m -104.82 153.56 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.1 p90 -145.22 153.63 41.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 126.75 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.405 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 47.5 mtp -96.17 118.09 32.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.61 ' O ' HG13 ' A' ' 49' ' ' VAL . 96.3 m-85 -107.98 139.13 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.646 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.4 ttm -90.9 140.73 29.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 26' ' ' MET . 18.3 mmm 65.23 -64.82 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 0.0 111.09 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -141.42 160.63 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -88.66 -31.83 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.86 -46.94 5.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.3 p -72.13 178.21 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.02 152.47 96.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.98 152.27 40.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 26' ' ' MET . 16.0 m -95.11 -33.47 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 3.0 ptmm? -155.69 163.84 39.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.692 HH22 HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.67 172.02 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.78 -178.92 47.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 m -94.78 162.61 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.425 HD13 ' HG3' ' A' ' 43' ' ' PRO . 5.9 tt -165.45 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.942 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -105.93 -36.27 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.32 154.12 36.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.99 120.17 64.6 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HG3' HD13 ' A' ' 39' ' ' ILE . 18.2 Cg_endo -75.04 -173.19 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -64.63 -174.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -163.12 124.67 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -104.45 171.59 7.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.997 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -17.53 56.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -56.43 4.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 25' ' ' PHE . 4.9 t -114.95 129.32 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -84.47 126.47 33.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 5.2 m-85 -100.25 124.97 46.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.4 t -122.52 126.51 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.87 155.74 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 108.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 174.59 14.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -140.17 20.24 2.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.397 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.7 p -114.21 138.04 50.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.451 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD2' HD13 ' A' ' 1' ' ' LEU . 15.4 m-20 -61.68 127.41 31.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 73.9 28.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' THR . 23.3 p -75.04 -37.36 61.75 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 35.8 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 56' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -100.42 119.76 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -107.96 150.27 27.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 21.4 m-20 -93.84 162.21 14.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -150.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -33.83 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 8' ' ' PRO . 71.7 t -113.78 138.43 22.7 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.94 47.5 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.561 1.822 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.79 -52.93 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -103.3 132.87 49.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 12.1 p90 -141.77 155.13 45.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 172.0 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.748 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -96.87 129.69 44.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.0 m -118.1 79.97 14.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.254 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.748 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.99 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.8 mm-40 -38.71 90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.15 48.95 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -135.97 72.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.535 ' O ' HD22 ' A' ' 20' ' ' LEU . 27.9 t30 -93.05 -2.84 55.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.47 137.8 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 15.4 m -114.89 150.28 35.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 5.6 p90 -138.6 156.88 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -140.6 126.44 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -97.67 123.16 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.8 m-85 -109.41 143.55 38.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.623 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.6 ttt -84.61 136.16 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' MET . 7.0 mtt 63.84 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -125.43 163.05 23.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.468 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -89.63 -36.64 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.62 -38.77 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' ASP . 40.4 p -74.16 172.6 11.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.1 mp -64.42 151.18 91.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.89 152.72 41.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 26' ' ' MET . 11.5 m -100.54 -40.81 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 167.17 26.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.12 -176.4 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 174.67 178.22 44.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -94.72 160.29 14.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.67 178.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.97 -36.28 4.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.14 141.75 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.05 118.6 50.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.24 20.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.99 131.97 41.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 57.1 t30 -75.42 167.35 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.614 ' C ' HD13 ' A' ' 47' ' ' LEU . 2.0 p -119.14 176.25 5.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.82 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -95.91 0.49 52.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.75 -48.3 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -116.73 136.96 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -86.25 137.18 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -108.54 128.9 55.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.6 t -132.29 117.57 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 m -103.16 166.83 10.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.5 p -160.26 172.35 17.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 108.347 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -140.7 26.78 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -125.35 141.27 52.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.68 131.42 49.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 70.03 28.35 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 56' ' ' THR . 30.9 p -75.21 -44.66 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -108.37 123.34 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.29 155.32 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -101.03 173.88 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.53 -154.68 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' N ' HH21 ' A' ' 36' ' ' ARG . 2.3 tp -54.03 -39.38 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.06 135.16 19.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 47.36 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.651 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -122.47 -42.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -109.4 128.08 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 43.5 p90 -152.88 154.1 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -141.36 -165.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.729 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -97.14 143.99 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 21.4 m -118.0 78.88 13.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 108.364 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.729 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.03 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 30.1 mt-10 -42.09 93.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 30.89 42.54 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.0 mttp -132.32 143.57 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -145.86 -42.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 55' ' ' ASN . 97.7 mt -93.94 166.85 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.422 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.5 m -129.53 151.42 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 4.3 p90 -138.97 157.67 45.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.99 126.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.59 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 2.3 mtp -96.46 123.33 40.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 84.2 m-85 -111.42 144.93 39.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.687 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 ttt -91.56 120.89 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.598 ' O ' ' CB ' ' A' ' 28' ' ' SER . 43.4 mmm 23.09 57.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 27' ' ' MET . 3.1 p 150.23 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.568 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -82.48 -44.04 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -41.16 -54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.3 p -59.51 173.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.88 149.35 90.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.08 153.33 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 26' ' ' MET . 34.6 m -93.72 -34.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.16 164.47 37.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.554 HH21 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -167.1 177.39 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.76 178.7 44.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.58 1.175 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -94.83 156.58 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.444 HD13 ' HG3' ' A' ' 43' ' ' PRO . 4.2 tt -161.65 161.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.91 -32.68 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.34 140.95 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.62 120.56 66.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.283 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HG3' HD13 ' A' ' 39' ' ' ILE . 18.6 Cg_endo -74.97 168.95 23.69 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.772 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -73.91 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 50.5 t30 -74.78 166.36 23.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.7 p -119.41 176.89 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.57 -6.35 49.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.6 -59.34 1.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -105.57 133.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -85.33 135.88 33.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.59 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -106.71 131.78 53.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.5 t -133.06 113.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.05 164.15 12.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.293 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.89 169.11 24.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' HB3' HD22 ' A' ' 20' ' ' LEU . 17.2 p-10 -136.4 22.49 3.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.427 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -123.24 147.35 47.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.589 ' N ' HD23 ' A' ' 1' ' ' LEU . 32.6 m-20 -60.48 141.75 56.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 53.84 33.96 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.427 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 21.3 p -75.73 -38.54 58.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.465 HD21 ' CA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -95.5 119.28 33.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.27 149.27 32.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.255 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.443 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -94.88 170.32 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -95.42 -156.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' N ' HH21 ' A' ' 36' ' ' ARG . 3.4 tt -51.49 -36.61 45.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.4 HG23 HD23 ' A' ' 6' ' ' LEU . 94.3 t -107.77 132.36 21.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 47.23 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.456 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -121.99 -46.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.483 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.75 128.05 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 17.5 p90 -141.87 149.93 40.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.6 -174.03 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.866 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -102.69 135.64 43.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 18' ' ' LYS . 93.6 m -120.59 76.68 27.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.271 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.866 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.99 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.551 ' O ' ' C ' ' A' ' 17' ' ' GLY . 67.3 tt0 -37.85 90.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.72 48.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.57 1.168 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.0 mttm -139.27 68.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -93.43 28.97 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 40' ' ' ASP . 21.4 mt -145.73 127.73 15.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -102.36 147.92 26.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.8 p90 -143.34 155.74 44.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.9 131.08 19.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.594 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -95.79 130.42 42.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' ' HG3' ' A' ' 23' ' ' LYS . 97.4 m-85 -113.66 140.12 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.648 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -90.03 124.19 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.559 ' O ' ' CB ' ' A' ' 28' ' ' SER . 91.1 mtp 41.56 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.3 p 89.76 154.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -104.91 -35.95 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.377 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.1 mt -42.34 -45.94 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' ASP . 67.2 p -67.12 171.9 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -66.12 152.36 94.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.06 167.46 26.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.648 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.5 m -110.18 -35.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -154.52 167.28 30.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.37 177.59 6.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.29 179.15 45.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -94.88 163.86 13.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 5.2 tt -165.47 176.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -104.79 -34.11 8.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.6 144.4 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.24 119.43 55.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.28 27.39 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -71.05 128.82 37.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 46' ' ' SER . 48.0 t30 -74.7 166.36 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.6 p -115.87 179.87 3.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.66 -14.35 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.76 -52.47 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -108.47 137.46 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 139.46 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -110.43 126.99 54.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.5 t -127.01 113.48 32.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 m -105.46 157.88 17.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.56 165.05 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.66 34.17 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.512 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.6 p -130.23 145.8 51.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.57 138.93 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 57.64 30.44 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 56' ' ' THR . 21.6 p -75.01 -35.41 61.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 48.5 p-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.633 1.208 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 33.9 mtpt -104.48 144.43 31.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 96.0 m -145.18 158.33 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.343 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 1.4 m-80 -92.17 165.9 12.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.36 -139.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.4 tm? -58.11 -38.43 76.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 8' ' ' PRO . 67.7 t -107.55 136.02 19.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.0 Cg_endo -75.0 46.8 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.607 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -124.11 -42.84 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -105.4 125.18 50.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 45.0 p90 -148.81 153.37 38.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -144.94 -177.11 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.804 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.77 146.2 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.0 m -117.63 76.93 10.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.804 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.01 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.569 1.826 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 mt-10 -39.15 92.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.28 48.76 0.03 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' GLU . 64.5 mttt -140.08 145.27 37.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -146.95 -38.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 55' ' ' ASN . 72.8 mt -91.74 163.92 13.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -129.61 157.74 41.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 108.249 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 12.8 p90 -143.35 158.14 43.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.13 117.88 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 51' ' ' TYR . 24.2 mtm -87.99 130.08 35.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 33.6 m-85 -118.74 140.39 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.666 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 ttt -87.89 126.39 35.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 46.53 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.5 m 65.02 148.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -93.45 -20.94 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -45.22 -28.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.6 p -94.73 172.41 8.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -62.51 150.65 85.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 -179.82 5.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 26' ' ' MET . 8.5 m -117.07 -35.0 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -151.32 162.81 40.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG3' ' ND2' ' A' ' 60' ' ' ASN . 7.8 ptp180 -166.56 131.1 2.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.87 -171.39 14.61 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 m -98.78 151.73 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 tt -154.64 162.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -97.11 -31.77 12.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -136.55 135.66 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.61 119.28 58.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.86 15.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.58 130.02 39.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 46' ' ' SER . 31.6 t30 -74.71 147.73 41.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.9 p -91.0 171.19 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -25.2 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 -49.69 6.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.254 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -102.44 158.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' CD ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -112.69 132.18 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.5 m-30 -102.57 115.92 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' CD ' ' A' ' 50' ' ' LYS . 2.5 t -116.02 110.58 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.9 m -94.44 165.07 12.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -157.78 173.84 16.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.475 ' HB3' HD22 ' A' ' 20' ' ' LEU . 28.8 p30 -144.61 17.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 67.4 p -111.22 138.07 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' N ' HD23 ' A' ' 1' ' ' LEU . 5.6 m-20 -61.58 122.08 14.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 29.8 mtp180 80.87 30.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 56' ' ' THR . 16.8 p -75.08 -41.92 57.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.4 p-10 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.828 HD11 ' N ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 13.4 mtmm -103.17 147.96 26.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -145.46 158.67 43.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.57 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 47.0 m-80 -90.53 169.76 10.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -142.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.595 HD23 HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -54.97 -26.17 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.595 HG23 HD23 ' A' ' 6' ' ' LEU . 87.7 t -125.72 136.27 28.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.1 Cg_endo -75.03 46.75 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.754 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 tp -122.0 -36.01 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.49 118.61 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' HB3' ' CG ' ' A' ' 4' ' ' ASN . 30.7 p90 -136.32 145.38 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.81 174.62 9.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.824 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -85.12 144.57 28.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.3 m -117.88 76.85 11.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.341 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.824 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.09 -45.21 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 17' ' ' GLY . 20.8 tt0 -37.98 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 26.06 46.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' GLU . 33.8 mttt -140.52 146.54 38.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 1' ' ' LEU . 13.4 t-20 -147.07 -37.04 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 55' ' ' ASN . 66.5 mt -91.21 161.29 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -130.63 159.23 37.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 17.2 p90 -144.48 154.49 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -138.98 122.5 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.585 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.09 131.92 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 95.8 m-85 -116.64 145.8 43.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.504 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.2 ttp -83.52 134.99 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.5 mmt 62.32 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' MET . 23.2 m -125.9 159.11 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.429 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -82.85 -31.68 27.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -45.95 -28.73 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.7 p -91.18 173.49 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.41 148.73 79.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.627 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 160.52 40.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 24' ' ' MET . 3.7 m -94.65 -33.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HG2' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -164.21 168.71 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -164.28 148.98 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.7 -175.56 27.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -97.79 149.76 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tt -154.04 167.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.96 -32.16 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.607 1.192 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.9 p -132.85 137.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -65.9 120.79 71.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.44 20.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -75.12 131.22 40.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 50' ' ' LYS . 41.3 t30 -74.97 165.64 24.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -120.88 176.35 5.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.056 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -92.38 -11.0 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -95.16 -55.9 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.57 137.97 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.5 tptt -87.65 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.83 122.26 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -126.71 119.65 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.3 m -99.41 169.18 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 2.2 p -158.68 173.99 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB3' HD22 ' A' ' 20' ' ' LEU . 42.5 p-10 -149.79 21.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.744 ' C ' HD11 ' A' ' 1' ' ' LEU . 69.7 p -119.61 143.97 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.828 ' N ' HD11 ' A' ' 1' ' ' LEU . 15.8 m-20 -60.55 128.21 35.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 71.37 33.0 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.323 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.8 p -74.53 -44.77 49.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 40.4 p-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.473 HD11 ' SG ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -99.41 125.49 45.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.1 m -109.44 148.96 30.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -93.79 165.79 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -95.19 -151.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.412 HD23 HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -55.78 -32.75 63.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.532 HG12 HG22 ' A' ' 9' ' ' ILE . 73.9 t -115.38 135.26 22.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 47.02 1.64 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.532 HG22 HG12 ' A' ' 7' ' ' VAL . 6.3 tp -121.79 -44.05 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.59 139.8 44.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -154.46 156.12 36.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 174.03 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.871 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -89.55 133.17 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 28.4 m -120.73 76.79 28.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.871 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.03 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 tp10 -37.9 92.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.76 51.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -143.78 63.97 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 0.739 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 24.5 t30 -93.5 27.98 2.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 40' ' ' ASP . 45.8 mt -145.54 126.3 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' HD11 ' A' ' 1' ' ' LEU . 3.6 m -100.09 155.01 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 8.2 p90 -145.15 156.62 43.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.36 120.49 10.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.859 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -91.28 128.8 37.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 96.4 m-85 -114.47 145.23 42.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.512 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -84.71 135.96 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt 61.73 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -125.93 163.16 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.24 -35.99 19.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -41.26 -53.48 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' ASP . 73.0 p -66.17 176.04 1.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.79 148.23 87.82 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 172.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 24' ' ' MET . 30.4 m -101.71 -33.35 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.82 166.85 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -162.79 150.12 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.74 -165.37 16.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -98.6 158.26 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 3.8 tt -165.06 176.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.244 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.509 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -114.11 -30.21 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 t -132.53 137.53 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.33 118.75 56.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.44 35.32 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -75.93 164.26 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 11.5 m-20 -73.58 149.3 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 47' ' ' LEU . 15.0 p -77.18 -134.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.54 -60.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 47' ' ' LEU . 2.6 mm? -127.05 11.92 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 25' ' ' PHE . 3.6 t -104.27 133.38 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 137.18 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 44' ' ' LYS . 3.3 m-85 -110.23 113.27 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -109.46 157.1 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.16 162.8 34.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.85 170.8 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 108.354 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 18.3 p30 -137.5 28.13 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.1 p -129.68 143.26 50.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 1' ' ' LEU . 1.9 m-20 -60.56 135.81 57.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 64.18 29.07 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.432 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.0 p -75.15 -41.4 58.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.488 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 53.4 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.515 HD21 ' SG ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 5.3 mtmp? -96.55 120.0 36.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 m -109.13 146.34 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.514 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.1 m-20 -92.81 175.86 6.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.603 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -95.55 -153.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.65 -35.34 65.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 8' ' ' PRO . 70.5 t -109.64 137.93 20.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -124.42 -53.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -98.89 122.4 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.3 p90 -146.47 156.22 43.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -143.54 -174.25 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.919 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -92.66 144.7 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.8 m -120.15 75.44 22.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.919 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -75.02 -42.47 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.443 1.759 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 2.7 tm-20 -41.49 92.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 31.47 44.93 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 16' ' ' GLU . 2.0 mmtp -137.36 134.06 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -146.54 18.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 60.6 mt -145.68 157.29 43.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' SG ' HD21 ' A' ' 1' ' ' LEU . 3.5 m -126.13 152.11 46.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.0 p90 -145.64 158.21 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.622 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.7 131.05 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.635 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 32.3 mtm -98.36 132.2 44.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.629 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -117.29 145.26 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.512 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 2.9 ttm -83.69 133.55 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 62.37 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.1 m -123.93 163.59 21.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.02 -35.4 20.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -42.0 -50.77 4.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.9 p -66.84 179.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.36 149.25 98.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.629 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.92 170.21 20.91 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.557 1.819 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.3 m -104.71 -40.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -156.14 174.62 15.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.79 174.33 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . 172.05 -177.79 44.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.79 155.8 16.65 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.509 ' CA ' ' HD3' ' A' ' 18' ' ' LYS . 3.4 tt -155.63 169.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.34 -34.84 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.33 138.78 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.77 118.02 53.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.26 18.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 131.44 40.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 46' ' ' SER . 31.0 t30 -75.3 165.73 24.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 91.5 p -120.51 178.3 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.063 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.05 -14.43 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.38 -50.99 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -116.63 139.02 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 25' ' ' PHE . 11.7 tppt? -90.96 137.34 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.635 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-30 -107.14 133.06 52.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -98.76 159.31 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.05 170.8 20.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 108.305 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.485 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 48.8 p-10 -140.47 34.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.506 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 8.0 p -132.27 144.78 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -62.15 133.16 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.1 mtm-85 64.79 29.84 12.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.471 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 31.4 p -75.25 -27.74 59.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 53.1 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' ASP . 13.6 mtpt -105.44 145.44 30.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 91.5 m -145.17 156.48 43.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.572 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 44.2 m-80 -89.16 170.27 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -140.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.773 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.4 tm? -53.63 -32.16 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.472 HG13 ' HD2' ' A' ' 8' ' ' PRO . 84.4 t -120.56 137.56 26.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.572 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.95 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 tp -123.23 -34.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.17 121.36 41.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 30.0 p90 -137.79 148.79 45.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 175.36 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.873 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -87.64 136.18 33.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.4 m -119.75 76.17 20.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.873 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.04 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.5 mm-40 -36.08 89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 22.77 49.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 mtpp -138.8 74.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.637 ' O ' HD23 ' A' ' 20' ' ' LEU . 19.0 t30 -92.99 17.99 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 19' ' ' ASN . 87.1 mt -136.73 154.57 50.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -130.25 158.77 38.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.717 ' CA ' ' HZ3' ' A' ' 23' ' ' LYS . 23.9 p90 -145.61 158.39 43.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.717 ' HZ3' ' CA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -142.87 125.56 15.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -97.84 125.55 42.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.619 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -112.85 143.53 43.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.674 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.5 ttm -85.2 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 61.89 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.677 ' OG ' HG23 ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.19 161.86 13.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.932 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.13 -39.31 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.3 mt -44.39 -33.5 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.677 HG23 ' OG ' ' A' ' 28' ' ' SER . 81.7 p -75.16 -179.75 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -70.4 147.94 95.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.619 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.03 154.05 42.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.674 HG11 ' HB2' ' A' ' 26' ' ' MET . 35.7 m -96.17 -34.24 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 2.1 pttm -151.85 162.94 40.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.92 -174.1 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 36' ' ' ARG . . . 162.7 -177.08 38.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.73 161.71 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 tt -164.86 171.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.5 t70 -108.5 -33.61 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.5 p -129.23 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 t -69.35 120.65 78.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 164.66 32.97 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -69.9 131.93 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.529 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 24.9 t30 -73.74 144.54 45.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.9 p -91.97 -179.51 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.32 -15.17 18.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.24 -52.04 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.5 t -106.38 138.67 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -87.12 133.73 33.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.56 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-30 -104.76 126.9 52.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -130.73 121.03 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.2 m -106.95 164.17 12.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 108.343 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.1 p -155.7 172.3 18.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -145.3 36.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.5 p -136.31 152.54 50.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 23.9 m-20 -61.59 141.41 57.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 50.27 36.81 13.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.35 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.1 p -75.71 -23.96 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 49.6 p30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 19' ' ' ASN . 13.0 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -98.8 127.6 44.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -117.9 143.95 45.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.245 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 58' ' ' ARG . 34.0 m-80 -83.92 168.74 15.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 -149.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.1 tt -55.18 -27.6 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 8' ' ' PRO . 72.0 t -118.04 137.47 24.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.08 47.23 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.521 HG23 ' N ' ' A' ' 10' ' ' ALA . 7.8 tp -120.19 -56.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.47 138.23 37.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.425 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 15.0 p90 -145.59 144.81 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 172.27 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.796 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -90.12 129.99 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.515 ' O ' ' O ' ' A' ' 18' ' ' LYS . 55.2 m -118.32 78.68 14.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.796 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.95 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.6 mm-40 -37.49 89.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.08 49.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 14' ' ' CYS . 7.5 mttp -138.99 71.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.773 ' O ' HD22 ' A' ' 1' ' ' LEU . 37.8 t30 -92.7 -0.25 57.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.27 138.56 50.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.772 ' SG ' HD23 ' A' ' 1' ' ' LEU . 6.8 m -114.73 154.31 28.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 6.1 p90 -143.48 158.91 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 2.0 pttt -145.52 122.25 11.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.529 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -93.45 121.26 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -108.16 142.54 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.547 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 ttt -84.76 133.01 34.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.3 mtp 63.41 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -123.18 160.23 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -88.11 -36.79 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -42.45 -46.43 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' ASP . 77.2 p -68.38 174.77 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -64.45 151.06 92.28 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.7 Cg_endo -74.85 166.66 28.8 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.547 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.1 m -113.23 -46.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.355 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -142.18 159.32 42.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.81 178.08 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 171.78 -173.01 44.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.62 161.91 13.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.55 178.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.83 -45.19 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.7 t -121.95 138.78 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -64.73 120.86 69.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 170.7 19.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 127.73 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 46' ' ' SER . 47.9 t30 -75.53 166.63 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 80.6 p -124.88 -177.8 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.11 -12.72 21.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -44.51 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -125.82 135.05 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -85.58 137.87 32.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -110.24 124.61 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.2 t -126.44 110.13 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 63.4 m -99.05 164.11 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.252 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -159.51 168.0 27.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 108.261 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.59 ' OD1' HG23 ' A' ' 56' ' ' THR . 48.1 p-10 -134.15 19.41 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.638 ' C ' HD11 ' A' ' 1' ' ' LEU . 11.0 p -118.76 142.78 47.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.522 ' N ' HD11 ' A' ' 1' ' ' LEU . 3.2 m-20 -60.78 137.98 58.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' HA ' ' ND2' ' A' ' 4' ' ' ASN . 26.1 mtp180 62.38 29.36 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 24.6 p -75.74 -31.33 59.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.9 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.503 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' H ' HD13 ' A' ' 1' ' ' LEU . 9.5 mtmt -126.2 120.19 29.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.93 145.4 42.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 171.25 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.96 -154.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -54.34 -32.67 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.456 HG12 HG22 ' A' ' 9' ' ' ILE . 54.2 t -110.84 130.72 22.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 46.86 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.456 HG22 HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -122.03 -42.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.88 129.22 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -145.53 154.13 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 169.73 16.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.209 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.791 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.73 133.43 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 18' ' ' LYS . 65.6 m -118.2 78.56 13.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.791 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -74.99 -48.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 1.6 mt-10 -38.02 91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 24.0 51.13 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.7 mttt -143.61 65.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 0.819 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.459 ' O ' HD23 ' A' ' 20' ' ' LEU . 25.5 t30 -94.39 26.82 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 40' ' ' ASP . 38.3 mt -142.9 126.55 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -101.63 154.46 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -145.98 151.98 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.673 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.58 118.91 8.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mpp? -93.98 133.12 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 98.6 m-85 -114.56 150.53 34.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.52 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 3.1 ttm -83.48 131.22 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' MET . 21.1 mmm 62.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -118.74 163.1 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -85.14 -38.19 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -40.52 -52.96 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.7 p -61.37 173.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.428 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -63.99 150.86 90.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.603 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.03 162.63 36.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.801 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.52 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.9 m -101.09 -35.76 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 26.9 tttt -157.47 153.24 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.515 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -165.12 140.06 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.35 -152.45 6.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -107.14 157.99 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 3.9 tt -162.58 177.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' O ' HD12 ' A' ' 20' ' ' LEU . 11.9 t70 -115.82 -34.74 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.41 137.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.6 t -75.52 119.57 77.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.84 34.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -68.8 131.5 45.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 46' ' ' SER . 42.3 t30 -75.6 166.25 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.585 1.178 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -127.98 172.45 10.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -84.14 -21.82 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.949 HD22 HD23 ' A' ' 47' ' ' LEU . 4.3 mm? -77.63 -59.68 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 25' ' ' PHE . 2.9 t -114.61 134.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -85.82 138.66 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-85 -109.31 130.52 55.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.5 t -130.86 110.92 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.6 m -101.95 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.63 174.04 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 108.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.38 16.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 8.0 p -113.14 145.21 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.67 140.93 58.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 58.44 28.57 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 28.8 p -76.63 -23.28 53.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.236 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.5 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.442 HD21 ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 6.3 mtpp -95.31 120.06 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.5 m -113.31 156.8 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.6 m-20 -102.54 171.46 7.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.03 -145.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.798 HD13 HH11 ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.67 -54.59 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.531 HG13 ' HD2' ' A' ' 8' ' ' PRO . 73.8 t -95.91 138.83 21.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.204 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.531 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.0 Cg_endo -75.05 47.26 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.802 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -122.69 -42.01 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -107.53 125.17 50.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 41.2 p90 -153.1 154.39 34.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 13.3 ptmt -142.32 -168.65 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.628 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -95.01 144.42 25.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.9 m -117.59 80.65 13.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.628 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.04 -43.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 17' ' ' GLY . 38.4 tt0 -40.18 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.61 47.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.078 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 14' ' ' CYS . 3.3 mttp -138.58 133.6 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.503 ' O ' HD23 ' A' ' 20' ' ' LEU . 12.4 t-20 -144.82 15.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 19' ' ' ASN . 75.7 mt -145.76 153.75 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -119.28 148.02 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 108.384 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 2.1 p90 -138.83 156.6 47.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -141.27 129.53 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.612 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 2.4 mtp -101.05 124.34 46.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.0 m-85 -108.34 144.58 35.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -84.39 135.56 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' MET . 48.0 mmm 62.69 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.5 m -124.55 161.88 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.451 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -90.05 -33.46 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.07 -50.33 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 65.8 p -70.02 174.5 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -61.27 150.31 80.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.616 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 24' ' ' MET . 2.2 m -115.12 -41.76 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 164.7 33.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.798 HH11 HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -166.39 153.34 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.2 -172.3 29.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 m -97.71 160.45 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.4 tt -165.49 161.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -96.54 -32.86 12.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.7 140.78 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.84 126.42 91.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 108.307 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.66 3.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 47.0 mtmt -75.54 130.74 39.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.56 128.19 34.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -93.31 163.49 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.926 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -29.24 22.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -50.84 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -114.69 136.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -84.79 133.81 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.055 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.612 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-30 -104.53 128.71 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.2 t -130.49 118.13 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.181 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -108.02 155.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.5 168.17 28.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 108.342 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 6.4 p30 -132.41 27.47 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.0 p -116.54 141.99 47.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -63.53 129.48 40.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 65.65 34.75 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.226 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 56' ' ' THR . 14.5 p -75.68 -33.13 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.609 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.609 ' H ' HD13 ' A' ' 1' ' ' LEU . 38.9 mtpt -116.18 121.19 41.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -112.13 145.24 40.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -95.15 165.77 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -84.98 -153.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.638 HD12 ' NH1' ' A' ' 36' ' ' ARG . 2.7 tp -54.34 -43.57 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.451 HG13 ' HD2' ' A' ' 8' ' ' PRO . 25.5 t -101.43 136.25 19.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.451 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.96 46.79 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -120.63 -47.83 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.532 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -104.59 129.46 52.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.498 ' CZ ' ' HD3' ' A' ' 58' ' ' ARG . 37.5 p90 -154.73 154.42 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -142.95 -179.52 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.648 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.93 143.86 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.0 m -117.88 80.43 14.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.648 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.07 -42.22 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 6.6 mm-40 -38.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.19 46.24 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 18.2 mttt -140.43 137.58 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -145.53 16.18 1.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 40' ' ' ASP . 59.1 mt -146.44 158.19 43.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.6 m -121.82 154.01 37.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -145.56 151.39 38.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -139.26 126.85 21.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.806 ' O ' HG22 ' A' ' 34' ' ' VAL . 26.1 mtm -96.94 130.12 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.642 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 86.6 m-85 -115.38 146.92 41.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.532 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -86.96 128.87 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.3 mtm 60.77 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' MET . 33.3 p -108.32 157.52 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.477 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -93.62 -42.07 9.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ASP . 15.8 mt -40.36 -52.85 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' ASP . 59.4 p -61.43 179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.97 142.22 98.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.642 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.8 Cg_endo -74.92 171.48 18.21 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 24' ' ' MET . 17.9 m -94.91 -35.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -170.23 172.04 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.638 ' NH1' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -164.33 154.99 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.49 -164.66 15.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.5 m -106.38 157.25 17.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 tt -161.12 166.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.8 t0 -96.66 -37.74 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.99 138.26 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.09 121.17 74.94 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 169.44 22.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 132.33 42.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.4 166.45 23.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.9 p -120.53 178.88 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 -9.81 32.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.17 -55.77 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.83 136.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -85.34 137.95 32.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 0.0 109.208 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -109.5 123.03 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.36 114.68 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.7 161.35 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 1.7 p -155.0 172.22 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 27.5 p-10 -143.76 21.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -117.63 122.31 43.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.566 ' N ' HD11 ' A' ' 1' ' ' LEU . 11.3 m-20 -45.16 124.96 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 1.7 mtm105 75.47 30.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 17.6 p -75.63 -38.17 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.251 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 43.3 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.454 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.1 OUTLIER -109.32 144.98 36.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.386 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -145.43 159.23 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.53 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 1.4 m-80 -91.99 167.96 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.81 -141.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.444 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 2.4 tp -57.59 -24.09 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.538 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.1 t -124.8 139.25 32.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.538 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.92 47.41 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.529 HG23 ' N ' ' A' ' 10' ' ' ALA . 1.9 tp -123.74 -56.92 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.529 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -93.9 108.36 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.4 p90 -134.45 151.02 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -144.42 -178.67 6.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.72 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.82 147.65 26.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.5 m -117.74 78.2 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 108.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.72 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.8 mt-10 -40.25 93.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 25.98 48.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.6 mttt -139.87 145.77 38.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -147.32 -39.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 55' ' ' ASN . 80.2 mt -92.2 164.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.19 160.86 34.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -144.59 159.52 42.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HE2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -143.15 119.9 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CD1' ' A' ' 51' ' ' TYR . 35.6 mtm -91.68 128.55 37.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.631 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 93.1 m-85 -116.43 145.98 42.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.498 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.99 133.77 34.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' MET . 12.8 mtt 62.2 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -123.23 161.04 25.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -86.6 -32.24 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -44.4 -36.76 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.5 p -82.79 172.16 13.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.86 148.11 77.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.631 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.96 166.39 29.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 8.6 m -101.33 -35.26 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -157.81 165.91 34.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 1.5 ptt180 -165.91 152.44 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.34 -172.25 32.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.19 151.05 20.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -154.33 162.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -99.42 -30.88 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.79 134.75 53.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.63 119.46 57.44 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 108.36 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.81 132.63 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.506 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 33.7 t30 -74.78 149.75 39.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.3 p -105.27 154.34 20.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -12.43 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 48' ' ' LEU . 3.9 mm? -94.62 -43.91 8.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.7 t -121.65 138.83 50.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.8 tptp -86.36 132.48 33.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 3.8 m-30 -105.66 114.45 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.58 114.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.3 m -97.07 169.55 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 p -157.41 172.76 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.273 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.589 ' OD1' HG23 ' A' ' 56' ' ' THR . 40.6 p30 -144.51 18.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' OD1' ' A' ' 55' ' ' ASN . 31.7 p -119.09 145.75 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.523 ' N ' HD23 ' A' ' 1' ' ' LEU . 15.2 m-20 -61.02 136.87 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 63.52 30.83 15.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.409 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 24.1 p -75.38 -18.61 59.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 35.7 p-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.453 HD21 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -103.84 119.3 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 3.6 m -102.45 154.99 18.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -83.23 154.99 23.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.587 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -151.01 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 9.4 tt -49.82 -40.0 40.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.597 HG13 ' HD2' ' A' ' 8' ' ' PRO . 72.5 t -108.12 140.4 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.597 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.05 47.38 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.567 HG22 HG12 ' A' ' 7' ' ' VAL . 7.7 tp -127.04 -48.26 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -104.04 136.31 43.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 1.1 p90 -134.67 144.86 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 164.8 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.713 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -91.23 125.09 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.498 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' O ' ' A' ' 18' ' ' LYS . 74.2 m -118.04 80.05 14.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.713 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.1 Cg_endo -75.02 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.0 mp0 -38.04 90.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.97 48.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.5 mttm -136.48 72.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.52 ' O ' HD22 ' A' ' 20' ' ' LEU . 28.4 t30 -93.44 0.03 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -117.26 154.27 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.2 p90 -142.33 160.58 39.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.89 129.37 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.576 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -101.55 121.34 41.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 91.1 m-85 -107.83 136.97 46.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.725 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -84.71 126.11 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.948 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' SER . 4.6 mtt 43.54 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.4 t 91.37 150.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -96.67 -36.12 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.8 mt -42.3 -45.84 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 1.058 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' ASP . 68.5 p -63.88 172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -67.93 152.38 96.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.373 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.74 ' HB2' HH11 ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.95 159.57 41.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG11 ' HB2' ' A' ' 26' ' ' MET . 32.6 m -113.73 -38.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 1.6 pttt -144.11 159.26 42.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.74 HH11 ' HB2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -166.48 175.1 8.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.31 -177.92 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.71 164.3 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 tt -165.89 177.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 10.5 p-10 -110.55 -37.87 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 146.07 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.26 119.96 60.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.293 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.34 12.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -71.18 127.85 33.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 46' ' ' SER . 60.1 t-20 -75.06 147.5 40.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 63.3 p -106.82 158.76 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.4 -30.6 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.65 -53.74 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -108.73 135.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -86.13 129.93 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-30 -100.94 137.05 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.1 t -139.49 115.76 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.6 m -100.47 168.46 9.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 108.263 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -164.25 172.67 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -141.61 17.71 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 9.9 p -116.19 128.61 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' N ' HD21 ' A' ' 1' ' ' LEU . 4.4 m-20 -50.95 128.75 22.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 72.42 29.69 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 12.7 p -74.9 -44.14 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.54 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.54 ' H ' HD13 ' A' ' 1' ' ' LEU . 34.6 mtmt -123.25 122.84 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -113.82 149.26 35.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.7 169.37 8.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -89.86 -161.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -49.42 -33.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.693 HG12 HG22 ' A' ' 9' ' ' ILE . 81.0 t -111.09 129.8 23.62 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 47.1 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.693 HG22 HG12 ' A' ' 7' ' ' VAL . 8.0 tp -120.28 -40.08 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.41 124.5 49.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 14.2 p90 -142.79 157.78 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 174.73 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.916 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -85.96 142.84 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.7 m -119.9 75.74 21.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.916 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.97 -45.28 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -35.48 94.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.4 45.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.9 mttp -140.96 135.79 31.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 0.765 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -145.9 18.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.8 mt -145.05 153.84 41.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -121.59 153.87 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.351 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 2.6 p90 -143.07 152.09 41.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 128.52 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.625 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 44.9 mtm -97.41 127.1 43.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.7 m-85 -113.12 144.55 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.8 ttt -83.94 134.91 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 63.07 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -124.88 162.42 24.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -87.05 -35.12 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 30' ' ' LEU . 18.2 mt -42.61 -45.6 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.9 p -72.39 171.72 11.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -60.47 149.49 77.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.637 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.01 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 24' ' ' MET . 5.9 m -107.7 -38.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.56 171.16 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.461 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 5.7 ptp180 -165.5 165.91 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.346 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.65 -179.41 43.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 m -93.65 160.53 14.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -164.82 167.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -106.76 -29.04 9.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.17 131.5 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.08 120.64 68.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 108.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.16 18.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.569 1.826 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -74.69 128.21 35.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -75.19 165.65 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -126.02 -173.03 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -12.22 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.66 -53.54 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -122.23 138.77 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -87.6 135.28 33.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.625 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-30 -105.8 127.1 52.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.571 1.169 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.3 t -129.93 114.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.6 m -101.7 162.92 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.6 172.15 18.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.617 1.198 . . . . 0.0 108.289 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -137.66 23.35 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.451 ' C ' HD11 ' A' ' 1' ' ' LEU . 9.9 p -124.12 141.74 51.8 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.53 136.22 57.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 65.07 27.57 12.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.375 1.047 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.449 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -75.47 -20.73 58.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' C ' ' NH2' ' A' ' 36' ' ' ARG . 47.9 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 24.1 tp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -117.57 144.23 45.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -89.08 166.2 14.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -90.81 -152.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.15 -37.66 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.71 HG12 HG22 ' A' ' 9' ' ' ILE . 79.0 t -107.36 133.84 20.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.9 47.05 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.089 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.71 HG22 HG12 ' A' ' 7' ' ' VAL . 3.9 tp -122.73 -45.77 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.82 134.25 50.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -147.03 146.31 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -123.42 167.37 13.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.83 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.83 131.38 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.398 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.9 m -119.38 77.13 18.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.83 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.98 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 17' ' ' GLY . 42.3 tt0 -38.15 91.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.19 52.7 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 111.078 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 8.7 mttm -144.93 65.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -94.54 28.95 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 40' ' ' ASP . 27.1 mt -144.8 128.38 17.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.449 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 5.6 m -103.23 154.97 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 7.5 p90 -145.41 153.5 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.11 118.31 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.588 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.32 127.86 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 90.2 m-85 -112.77 146.75 38.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.621 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.3 ttp -83.57 136.71 34.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.6 mtp 62.32 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -123.98 165.22 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.22 -35.9 14.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.99 -49.47 4.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 p -65.62 178.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.4 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.62 150.16 97.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 169.81 21.79 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.446 1.761 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.621 HG11 ' HB2' ' A' ' 26' ' ' MET . 11.8 m -115.36 -39.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -145.7 150.25 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -167.31 146.28 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.43 -162.14 13.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -97.73 162.16 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 4.1 tt -165.39 177.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.808 ' O ' HD12 ' A' ' 20' ' ' LEU . 51.8 t0 -107.91 -51.33 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.8 t -121.26 138.79 50.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 t -64.86 121.66 74.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.87 15.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -68.07 129.21 39.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.546 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 47.4 t-20 -75.21 131.28 40.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.465 ' C ' HD13 ' A' ' 47' ' ' LEU . 63.8 p -87.46 165.66 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.827 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -86.04 -30.37 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.14 -49.24 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.93 135.78 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 131.39 34.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -103.88 119.85 39.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.59 110.99 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.8 m -100.16 161.48 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 108.214 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.99 168.01 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.486 ' OD1' HG23 ' A' ' 56' ' ' THR . 33.1 p-10 -133.87 17.31 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.486 HG23 ' OD1' ' A' ' 55' ' ' ASN . 8.6 p -115.31 140.62 48.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.93 137.33 58.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 63.42 28.17 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.465 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -74.83 -36.81 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 49.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.648 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.648 ' H ' HD13 ' A' ' 1' ' ' LEU . 6.7 mttm -123.73 122.08 37.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -113.73 144.5 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.519 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -92.75 178.97 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -96.33 -150.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.872 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.2 tm? -59.34 -33.2 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.596 HG12 HG22 ' A' ' 9' ' ' ILE . 61.7 t -114.43 136.87 22.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 47.66 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.596 HG22 HG12 ' A' ' 7' ' ' VAL . 4.2 tp -121.32 -43.21 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.71 118.67 35.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 31.4 p90 -144.17 157.05 44.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 -175.71 4.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.6 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -88.63 145.98 25.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.6 m -117.04 80.85 11.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.6 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.93 -44.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.506 ' O ' ' C ' ' A' ' 17' ' ' GLY . 41.0 mt-10 -40.85 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.35 45.83 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mttp -137.36 146.28 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 1' ' ' LEU . 16.4 t30 -147.41 -39.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 79.3 mt -91.64 159.59 15.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.4 m -125.41 156.45 38.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 108.262 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.8 p90 -144.77 156.28 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 14.3 pttt -145.78 113.88 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.576 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -85.77 134.77 33.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 41.6 m-85 -122.99 148.42 45.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.533 ' HB2' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -90.78 129.71 36.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.941 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' MET . 17.6 mtp 38.17 95.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' MET . 19.5 m 66.19 127.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.474 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -67.22 -23.03 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.9 mt -40.69 -53.34 2.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ASP . 60.4 p -69.99 175.74 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.86 147.96 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.99 168.32 25.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 24' ' ' MET . 4.3 m -97.83 -41.6 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 18.1 tttm -166.25 168.48 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -158.87 161.4 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . -170.05 -171.39 35.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.591 1.182 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -100.15 152.3 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -155.34 157.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.89 -32.07 17.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.43 135.72 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -64.88 121.79 75.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.572 1.828 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -65.24 129.12 38.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 31.0 t-20 -75.31 132.71 41.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -89.36 162.38 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -28.86 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.31 -51.41 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.4 136.27 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -84.59 132.11 34.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -104.75 103.45 13.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.4 t -105.17 105.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -94.34 169.11 10.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -162.14 174.8 12.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 108.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 38.4 p-10 -146.17 20.14 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.443 ' C ' HD11 ' A' ' 1' ' ' LEU . 16.4 p -118.33 140.29 50.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 12.1 m-20 -59.74 126.29 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 6.5 mtm180 77.41 26.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.7 p -75.42 -39.58 58.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.375 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.466 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 1.6 mtpt -105.24 140.71 37.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.7 m -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 108.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.549 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 8.1 m-80 -92.69 164.99 13.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.383 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.43 -143.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.542 HD23 HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -51.34 -39.24 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.542 HG23 HD23 ' A' ' 6' ' ' LEU . 53.1 t -111.11 136.54 20.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.05 46.95 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.832 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -119.96 -41.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -111.1 126.24 54.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -144.49 152.1 40.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.4 171.82 13.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.858 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.49 137.37 33.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' LYS . 37.6 m -118.48 77.06 13.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.253 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.858 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.1 Cg_endo -75.1 -47.88 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 21.3 tt0 -36.45 89.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 23.2 49.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' GLU . 34.4 mttm -140.91 70.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.2 t30 -92.71 23.25 4.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 40' ' ' ASP . 49.2 mt -138.36 151.69 47.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 64.3 m -126.69 157.78 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.54 155.87 43.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.38 119.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.611 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 35.7 mtm -94.33 126.43 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 88.4 m-85 -112.75 146.42 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -83.51 134.99 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.87 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -117.62 167.66 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -95.32 -33.97 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.4 mt -44.91 -37.88 4.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ASP . 70.1 p -78.06 174.83 10.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.11 148.6 95.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.8 m -111.15 -34.55 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 5.8 tptm -152.4 155.57 37.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -166.42 141.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.71 -168.09 19.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -94.77 162.1 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 tt -165.46 176.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.807 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.2 t0 -109.94 -46.77 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.67 137.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.4 121.85 78.84 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 170.54 20.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 130.95 44.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 28.6 t30 -75.71 139.42 41.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 60.3 p -94.58 170.78 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -29.3 19.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.94 -55.71 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -105.8 136.59 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -84.77 132.81 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.06 117.98 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.12 112.79 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.369 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.1 m -96.25 159.84 14.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 108.347 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 p -154.88 169.21 24.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.312 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 10.7 p-10 -147.44 37.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.083 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.449 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 17.0 p -130.82 145.46 51.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.76 124.61 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 73.48 32.45 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.351 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 21.4 p -76.7 -44.18 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.328 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.0 p-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.516 HD11 ' SG ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -94.93 123.1 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -114.73 152.54 31.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -96.47 166.91 11.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.79 -146.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 tp -53.54 -45.64 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.51 HG13 ' HD2' ' A' ' 8' ' ' PRO . 78.4 t -107.37 137.82 19.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -74.95 46.66 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.783 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -120.69 -36.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.495 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.69 126.09 51.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -141.52 147.6 38.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CE ' ' O ' ' A' ' 13' ' ' THR . 7.9 ptmt -122.15 179.89 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.868 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -99.34 131.41 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.379 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LYS . 68.1 m -119.87 76.82 21.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.868 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.95 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.6 mt-10 -37.81 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.68 51.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 14' ' ' CYS . 10.2 mtmt -145.24 64.25 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.407 ' C ' HD23 ' A' ' 1' ' ' LEU . 62.9 t30 -93.92 29.52 2.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.049 HD12 ' O ' ' A' ' 40' ' ' ASP . 64.8 mt -142.8 124.17 14.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.516 ' SG ' HD11 ' A' ' 1' ' ' LEU . 3.9 m -99.41 155.44 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 4.7 p90 -144.29 155.11 43.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -142.97 124.66 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.596 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -99.37 126.28 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 92.4 m-85 -111.66 145.92 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.02 135.13 34.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.384 1.052 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.7 mtt 62.87 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.2 t -121.96 165.25 16.27 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.462 1.101 . . . . 0.0 109.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.29 -36.09 14.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -42.06 -45.82 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.4 p -67.29 -178.44 0.83 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -71.95 151.03 92.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 155.42 43.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 24' ' ' MET . 3.2 m -95.89 -39.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.89 159.98 44.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.43 152.77 8.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.95 -166.91 25.75 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -96.55 161.06 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.9 tt -165.09 176.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.227 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 1.049 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.3 t0 -105.36 -46.21 4.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.8 t -129.14 143.94 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.88 125.08 89.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.256 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.56 2.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mtmt -74.91 132.55 41.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.29 126.43 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' VAL . 72.4 p -90.23 151.62 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.81 58.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -48.49 22.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.3 t -118.02 136.96 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -84.35 133.89 34.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-30 -104.44 129.74 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -134.31 117.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -108.09 161.39 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.65 169.4 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 14.2 p-10 -136.88 30.93 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 7.8 p -129.92 147.41 51.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -61.19 141.38 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mtm105 52.49 34.16 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.472 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.4 p -76.0 -37.33 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.6 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.486 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.486 ' H ' HD13 ' A' ' 1' ' ' LEU . 12.3 mttt -118.75 125.49 49.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 m -117.79 143.07 46.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.1 m-20 -96.29 172.95 7.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.95 -150.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.692 HD12 HH22 ' A' ' 36' ' ' ARG . 6.9 tt -51.22 -48.63 62.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.45 HG13 ' HD2' ' A' ' 8' ' ' PRO . 38.3 t -101.1 136.22 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 47.3 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.75 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.414 HD13 ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -119.72 -45.09 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.95 129.21 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 27.2 p90 -146.7 153.45 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 172.81 9.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.807 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -94.06 133.1 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' LYS . 89.1 m -118.71 78.85 15.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.807 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.94 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -39.89 91.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.75 49.78 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 14' ' ' CYS . 11.0 mtpt -138.5 66.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -93.77 26.33 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.942 HD12 ' O ' ' A' ' 40' ' ' ASP . 36.3 mt -145.14 129.09 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 28.0 m -104.82 153.56 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.1 p90 -145.22 153.63 41.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 126.75 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.405 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 47.5 mtp -96.17 118.09 32.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.61 ' O ' HG13 ' A' ' 49' ' ' VAL . 96.3 m-85 -107.98 139.13 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.646 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.4 ttm -90.9 140.73 29.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 26' ' ' MET . 18.3 mmm 65.23 -64.82 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 0.0 111.09 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -141.42 160.63 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -88.66 -31.83 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.86 -46.94 5.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.3 p -72.13 178.21 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.02 152.47 96.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.98 152.27 40.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 26' ' ' MET . 16.0 m -95.11 -33.47 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 3.0 ptmm? -155.69 163.84 39.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.692 HH22 HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.67 172.02 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.78 -178.92 47.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 m -94.78 162.61 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.425 HD13 ' HG3' ' A' ' 43' ' ' PRO . 5.9 tt -165.45 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.942 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -105.93 -36.27 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.32 154.12 36.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.99 120.17 64.6 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HG3' HD13 ' A' ' 39' ' ' ILE . 18.2 Cg_endo -75.04 -173.19 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -64.63 -174.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -163.12 124.67 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -104.45 171.59 7.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.997 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -17.53 56.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -56.43 4.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 25' ' ' PHE . 4.9 t -114.95 129.32 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -84.47 126.47 33.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 5.2 m-85 -100.25 124.97 46.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.4 t -122.52 126.51 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.87 155.74 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 108.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 174.59 14.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -140.17 20.24 2.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.397 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.7 p -114.21 138.04 50.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.451 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD2' HD13 ' A' ' 1' ' ' LEU . 15.4 m-20 -61.68 127.41 31.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 73.9 28.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' THR . 23.3 p -75.04 -37.36 61.75 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 35.8 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 56' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -100.42 119.76 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -107.96 150.27 27.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 21.4 m-20 -93.84 162.21 14.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -150.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -33.83 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 8' ' ' PRO . 71.7 t -113.78 138.43 22.7 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.94 47.5 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.561 1.822 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.79 -52.93 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -103.3 132.87 49.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 12.1 p90 -141.77 155.13 45.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 172.0 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.748 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -96.87 129.69 44.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.0 m -118.1 79.97 14.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.254 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.748 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.99 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.8 mm-40 -38.71 90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.15 48.95 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -135.97 72.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.535 ' O ' HD22 ' A' ' 20' ' ' LEU . 27.9 t30 -93.05 -2.84 55.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.47 137.8 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 15.4 m -114.89 150.28 35.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 5.6 p90 -138.6 156.88 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -140.6 126.44 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -97.67 123.16 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.8 m-85 -109.41 143.55 38.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.623 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.6 ttt -84.61 136.16 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' MET . 7.0 mtt 63.84 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -125.43 163.05 23.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.468 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -89.63 -36.64 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.62 -38.77 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' ASP . 40.4 p -74.16 172.6 11.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.1 mp -64.42 151.18 91.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.89 152.72 41.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 26' ' ' MET . 11.5 m -100.54 -40.81 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 167.17 26.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.12 -176.4 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 174.67 178.22 44.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -94.72 160.29 14.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.67 178.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.97 -36.28 4.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.14 141.75 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.05 118.6 50.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.24 20.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.99 131.97 41.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 57.1 t30 -75.42 167.35 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.614 ' C ' HD13 ' A' ' 47' ' ' LEU . 2.0 p -119.14 176.25 5.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.82 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -95.91 0.49 52.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.75 -48.3 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -116.73 136.96 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -86.25 137.18 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -108.54 128.9 55.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.6 t -132.29 117.57 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 m -103.16 166.83 10.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.439 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.5 p -160.26 172.35 17.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 108.347 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -140.7 26.78 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -125.35 141.27 52.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.68 131.42 49.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 70.03 28.35 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 56' ' ' THR . 30.9 p -75.21 -44.66 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -108.37 123.34 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.29 155.32 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -101.03 173.88 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.53 -154.68 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.554 ' N ' HH21 ' A' ' 36' ' ' ARG . 2.3 tp -54.03 -39.38 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.06 135.16 19.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 47.36 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.651 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -122.47 -42.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -109.4 128.08 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 43.5 p90 -152.88 154.1 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -141.36 -165.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.729 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -97.14 143.99 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 21.4 m -118.0 78.88 13.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 108.364 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.729 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.03 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 30.1 mt-10 -42.09 93.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 30.89 42.54 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.0 mttp -132.32 143.57 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -145.86 -42.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 55' ' ' ASN . 97.7 mt -93.94 166.85 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.422 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.5 m -129.53 151.42 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 4.3 p90 -138.97 157.67 45.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.99 126.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.59 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 2.3 mtp -96.46 123.33 40.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 84.2 m-85 -111.42 144.93 39.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.687 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 ttt -91.56 120.89 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.598 ' O ' ' CB ' ' A' ' 28' ' ' SER . 43.4 mmm 23.09 57.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 27' ' ' MET . 3.1 p 150.23 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.568 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -82.48 -44.04 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -41.16 -54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.3 p -59.51 173.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.88 149.35 90.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.08 153.33 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 26' ' ' MET . 34.6 m -93.72 -34.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.16 164.47 37.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.554 HH21 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -167.1 177.39 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.76 178.7 44.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.58 1.175 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -94.83 156.58 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.444 HD13 ' HG3' ' A' ' 43' ' ' PRO . 4.2 tt -161.65 161.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.91 -32.68 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.34 140.95 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.62 120.56 66.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.283 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HG3' HD13 ' A' ' 39' ' ' ILE . 18.6 Cg_endo -74.97 168.95 23.69 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.772 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -73.91 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 50.5 t30 -74.78 166.36 23.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.7 p -119.41 176.89 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.57 -6.35 49.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.6 -59.34 1.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -105.57 133.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -85.33 135.88 33.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.59 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -106.71 131.78 53.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.5 t -133.06 113.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.05 164.15 12.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.293 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.89 169.11 24.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' HB3' HD22 ' A' ' 20' ' ' LEU . 17.2 p-10 -136.4 22.49 3.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.427 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -123.24 147.35 47.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.589 ' N ' HD23 ' A' ' 1' ' ' LEU . 32.6 m-20 -60.48 141.75 56.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 53.84 33.96 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.427 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 21.3 p -75.73 -38.54 58.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.465 HD21 ' CA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -95.5 119.28 33.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.27 149.27 32.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.255 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.443 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -94.88 170.32 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -95.42 -156.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' N ' HH21 ' A' ' 36' ' ' ARG . 3.4 tt -51.49 -36.61 45.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.4 HG23 HD23 ' A' ' 6' ' ' LEU . 94.3 t -107.77 132.36 21.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 47.23 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.456 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -121.99 -46.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.483 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.75 128.05 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 17.5 p90 -141.87 149.93 40.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.6 -174.03 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.866 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -102.69 135.64 43.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 18' ' ' LYS . 93.6 m -120.59 76.68 27.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.271 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.866 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.99 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.551 ' O ' ' C ' ' A' ' 17' ' ' GLY . 67.3 tt0 -37.85 90.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.72 48.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.57 1.168 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.0 mttm -139.27 68.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -93.43 28.97 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 40' ' ' ASP . 21.4 mt -145.73 127.73 15.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -102.36 147.92 26.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.8 p90 -143.34 155.74 44.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.9 131.08 19.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.594 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -95.79 130.42 42.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' ' HG3' ' A' ' 23' ' ' LYS . 97.4 m-85 -113.66 140.12 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.648 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -90.03 124.19 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.559 ' O ' ' CB ' ' A' ' 28' ' ' SER . 91.1 mtp 41.56 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.3 p 89.76 154.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -104.91 -35.95 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.377 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.1 mt -42.34 -45.94 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' ASP . 67.2 p -67.12 171.9 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -66.12 152.36 94.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.06 167.46 26.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.648 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.5 m -110.18 -35.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -154.52 167.28 30.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.37 177.59 6.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.29 179.15 45.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -94.88 163.86 13.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 5.2 tt -165.47 176.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -104.79 -34.11 8.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.6 144.4 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.24 119.43 55.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.28 27.39 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -71.05 128.82 37.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 46' ' ' SER . 48.0 t30 -74.7 166.36 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.6 p -115.87 179.87 3.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.66 -14.35 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.76 -52.47 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -108.47 137.46 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 139.46 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -110.43 126.99 54.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.5 t -127.01 113.48 32.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 m -105.46 157.88 17.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.56 165.05 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.66 34.17 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.512 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.6 p -130.23 145.8 51.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.57 138.93 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 57.64 30.44 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 56' ' ' THR . 21.6 p -75.01 -35.41 61.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 48.5 p-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.633 1.208 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 33.9 mtpt -104.48 144.43 31.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 96.0 m -145.18 158.33 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.343 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 1.4 m-80 -92.17 165.9 12.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.36 -139.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.4 tm? -58.11 -38.43 76.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 8' ' ' PRO . 67.7 t -107.55 136.02 19.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.0 Cg_endo -75.0 46.8 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.607 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -124.11 -42.84 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -105.4 125.18 50.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 45.0 p90 -148.81 153.37 38.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -144.94 -177.11 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.804 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.77 146.2 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.0 m -117.63 76.93 10.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.804 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.01 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.569 1.826 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 mt-10 -39.15 92.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.28 48.76 0.03 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' GLU . 64.5 mttt -140.08 145.27 37.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -146.95 -38.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 55' ' ' ASN . 72.8 mt -91.74 163.92 13.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -129.61 157.74 41.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 108.249 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 12.8 p90 -143.35 158.14 43.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.13 117.88 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 51' ' ' TYR . 24.2 mtm -87.99 130.08 35.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 33.6 m-85 -118.74 140.39 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.666 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 ttt -87.89 126.39 35.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 46.53 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.5 m 65.02 148.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -93.45 -20.94 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -45.22 -28.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.6 p -94.73 172.41 8.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -62.51 150.65 85.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 -179.82 5.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 26' ' ' MET . 8.5 m -117.07 -35.0 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -151.32 162.81 40.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG3' ' ND2' ' A' ' 60' ' ' ASN . 7.8 ptp180 -166.56 131.1 2.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.87 -171.39 14.61 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 m -98.78 151.73 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 tt -154.64 162.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -97.11 -31.77 12.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -136.55 135.66 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.61 119.28 58.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.86 15.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.58 130.02 39.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 46' ' ' SER . 31.6 t30 -74.71 147.73 41.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.9 p -91.0 171.19 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -25.2 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 -49.69 6.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.254 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -102.44 158.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' CD ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -112.69 132.18 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.5 m-30 -102.57 115.92 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' CD ' ' A' ' 50' ' ' LYS . 2.5 t -116.02 110.58 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.9 m -94.44 165.07 12.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -157.78 173.84 16.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.475 ' HB3' HD22 ' A' ' 20' ' ' LEU . 28.8 p30 -144.61 17.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 67.4 p -111.22 138.07 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' N ' HD23 ' A' ' 1' ' ' LEU . 5.6 m-20 -61.58 122.08 14.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 29.8 mtp180 80.87 30.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 56' ' ' THR . 16.8 p -75.08 -41.92 57.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.4 p-10 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.828 HD11 ' N ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 13.4 mtmm -103.17 147.96 26.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -145.46 158.67 43.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.57 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 47.0 m-80 -90.53 169.76 10.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -142.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.595 HD23 HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -54.97 -26.17 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.595 HG23 HD23 ' A' ' 6' ' ' LEU . 87.7 t -125.72 136.27 28.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.1 Cg_endo -75.03 46.75 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.754 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 tp -122.0 -36.01 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.49 118.61 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.416 ' HB3' ' CG ' ' A' ' 4' ' ' ASN . 30.7 p90 -136.32 145.38 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.81 174.62 9.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.824 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -85.12 144.57 28.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.3 m -117.88 76.85 11.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.341 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.824 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.09 -45.21 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 17' ' ' GLY . 20.8 tt0 -37.98 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 26.06 46.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' GLU . 33.8 mttt -140.52 146.54 38.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 1' ' ' LEU . 13.4 t-20 -147.07 -37.04 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 55' ' ' ASN . 66.5 mt -91.21 161.29 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -130.63 159.23 37.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 17.2 p90 -144.48 154.49 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -138.98 122.5 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.585 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.09 131.92 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 95.8 m-85 -116.64 145.8 43.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.504 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.2 ttp -83.52 134.99 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.5 mmt 62.32 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' MET . 23.2 m -125.9 159.11 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.429 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -82.85 -31.68 27.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -45.95 -28.73 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.7 p -91.18 173.49 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.41 148.73 79.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.627 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 160.52 40.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 24' ' ' MET . 3.7 m -94.65 -33.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HG2' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -164.21 168.71 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -164.28 148.98 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.7 -175.56 27.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -97.79 149.76 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tt -154.04 167.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.96 -32.16 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.607 1.192 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.9 p -132.85 137.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -65.9 120.79 71.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.44 20.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -75.12 131.22 40.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 50' ' ' LYS . 41.3 t30 -74.97 165.64 24.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -120.88 176.35 5.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.056 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -92.38 -11.0 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -95.16 -55.9 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.57 137.97 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.5 tptt -87.65 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.83 122.26 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -126.71 119.65 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.3 m -99.41 169.18 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 2.2 p -158.68 173.99 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB3' HD22 ' A' ' 20' ' ' LEU . 42.5 p-10 -149.79 21.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.744 ' C ' HD11 ' A' ' 1' ' ' LEU . 69.7 p -119.61 143.97 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.828 ' N ' HD11 ' A' ' 1' ' ' LEU . 15.8 m-20 -60.55 128.21 35.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 71.37 33.0 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.323 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.8 p -74.53 -44.77 49.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 40.4 p-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.473 HD11 ' SG ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -99.41 125.49 45.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.1 m -109.44 148.96 30.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -93.79 165.79 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.464 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -95.19 -151.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.412 HD23 HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -55.78 -32.75 63.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.532 HG12 HG22 ' A' ' 9' ' ' ILE . 73.9 t -115.38 135.26 22.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 47.02 1.64 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.532 HG22 HG12 ' A' ' 7' ' ' VAL . 6.3 tp -121.79 -44.05 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.59 139.8 44.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -154.46 156.12 36.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 174.03 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.871 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -89.55 133.17 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 28.4 m -120.73 76.79 28.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.871 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.03 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 tp10 -37.9 92.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.76 51.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -143.78 63.97 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 0.739 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.401 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 24.5 t30 -93.5 27.98 2.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 40' ' ' ASP . 45.8 mt -145.54 126.3 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' HD11 ' A' ' 1' ' ' LEU . 3.6 m -100.09 155.01 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 8.2 p90 -145.15 156.62 43.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.36 120.49 10.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.859 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -91.28 128.8 37.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 96.4 m-85 -114.47 145.23 42.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.512 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -84.71 135.96 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt 61.73 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -125.93 163.16 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.24 -35.99 19.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -41.26 -53.48 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' ASP . 73.0 p -66.17 176.04 1.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.79 148.23 87.82 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 172.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 24' ' ' MET . 30.4 m -101.71 -33.35 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.82 166.85 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -162.79 150.12 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.74 -165.37 16.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -98.6 158.26 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 3.8 tt -165.06 176.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.244 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.509 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -114.11 -30.21 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 t -132.53 137.53 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.33 118.75 56.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.44 35.32 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -75.93 164.26 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 11.5 m-20 -73.58 149.3 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 47' ' ' LEU . 15.0 p -77.18 -134.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.54 -60.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 47' ' ' LEU . 2.6 mm? -127.05 11.92 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 25' ' ' PHE . 3.6 t -104.27 133.38 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 137.18 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 44' ' ' LYS . 3.3 m-85 -110.23 113.27 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -109.46 157.1 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.16 162.8 34.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.85 170.8 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 108.354 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 18.3 p30 -137.5 28.13 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.1 p -129.68 143.26 50.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 1' ' ' LEU . 1.9 m-20 -60.56 135.81 57.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 64.18 29.07 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.432 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.0 p -75.15 -41.4 58.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.488 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 53.4 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.515 HD21 ' SG ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 5.3 mtmp? -96.55 120.0 36.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 m -109.13 146.34 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.514 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.1 m-20 -92.81 175.86 6.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.603 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -95.55 -153.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.65 -35.34 65.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 8' ' ' PRO . 70.5 t -109.64 137.93 20.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -124.42 -53.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -98.89 122.4 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.3 p90 -146.47 156.22 43.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -143.54 -174.25 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.919 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -92.66 144.7 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.8 m -120.15 75.44 22.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.919 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -75.02 -42.47 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.443 1.759 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 2.7 tm-20 -41.49 92.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 31.47 44.93 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 16' ' ' GLU . 2.0 mmtp -137.36 134.06 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -146.54 18.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 60.6 mt -145.68 157.29 43.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' SG ' HD21 ' A' ' 1' ' ' LEU . 3.5 m -126.13 152.11 46.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.0 p90 -145.64 158.21 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.622 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.7 131.05 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.635 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 32.3 mtm -98.36 132.2 44.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.629 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -117.29 145.26 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.512 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 2.9 ttm -83.69 133.55 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 62.37 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.1 m -123.93 163.59 21.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.02 -35.4 20.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -42.0 -50.77 4.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.9 p -66.84 179.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.36 149.25 98.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.629 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.92 170.21 20.91 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.557 1.819 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.3 m -104.71 -40.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -156.14 174.62 15.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.79 174.33 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . 172.05 -177.79 44.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.79 155.8 16.65 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.509 ' CA ' ' HD3' ' A' ' 18' ' ' LYS . 3.4 tt -155.63 169.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.34 -34.84 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.33 138.78 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.77 118.02 53.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.26 18.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 131.44 40.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 46' ' ' SER . 31.0 t30 -75.3 165.73 24.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 91.5 p -120.51 178.3 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.063 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.05 -14.43 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.38 -50.99 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -116.63 139.02 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 25' ' ' PHE . 11.7 tppt? -90.96 137.34 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.635 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-30 -107.14 133.06 52.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -98.76 159.31 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.05 170.8 20.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 108.305 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.485 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 48.8 p-10 -140.47 34.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.506 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 8.0 p -132.27 144.78 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -62.15 133.16 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.1 mtm-85 64.79 29.84 12.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.471 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 31.4 p -75.25 -27.74 59.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 53.1 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' ASP . 13.6 mtpt -105.44 145.44 30.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 91.5 m -145.17 156.48 43.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.572 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 44.2 m-80 -89.16 170.27 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -140.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.773 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.4 tm? -53.63 -32.16 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.472 HG13 ' HD2' ' A' ' 8' ' ' PRO . 84.4 t -120.56 137.56 26.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.572 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.95 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 tp -123.23 -34.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.17 121.36 41.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 30.0 p90 -137.79 148.79 45.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 175.36 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.873 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -87.64 136.18 33.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.4 m -119.75 76.17 20.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.873 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.04 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.5 mm-40 -36.08 89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 22.77 49.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 mtpp -138.8 74.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.637 ' O ' HD23 ' A' ' 20' ' ' LEU . 19.0 t30 -92.99 17.99 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 19' ' ' ASN . 87.1 mt -136.73 154.57 50.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -130.25 158.77 38.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.717 ' CA ' ' HZ3' ' A' ' 23' ' ' LYS . 23.9 p90 -145.61 158.39 43.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.717 ' HZ3' ' CA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -142.87 125.56 15.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -97.84 125.55 42.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.619 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -112.85 143.53 43.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.674 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.5 ttm -85.2 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 61.89 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.677 ' OG ' HG23 ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.19 161.86 13.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.932 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.13 -39.31 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.3 mt -44.39 -33.5 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.677 HG23 ' OG ' ' A' ' 28' ' ' SER . 81.7 p -75.16 -179.75 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -70.4 147.94 95.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.619 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.03 154.05 42.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.674 HG11 ' HB2' ' A' ' 26' ' ' MET . 35.7 m -96.17 -34.24 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 2.1 pttm -151.85 162.94 40.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.92 -174.1 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 36' ' ' ARG . . . 162.7 -177.08 38.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.73 161.71 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 tt -164.86 171.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.5 t70 -108.5 -33.61 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.5 p -129.23 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 t -69.35 120.65 78.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 164.66 32.97 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -69.9 131.93 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.529 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 24.9 t30 -73.74 144.54 45.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.9 p -91.97 -179.51 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.32 -15.17 18.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.24 -52.04 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.5 t -106.38 138.67 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -87.12 133.73 33.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.56 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-30 -104.76 126.9 52.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -130.73 121.03 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.2 m -106.95 164.17 12.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 108.343 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.1 p -155.7 172.3 18.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 15.1 p30 -145.3 36.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.5 p -136.31 152.54 50.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 23.9 m-20 -61.59 141.41 57.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 50.27 36.81 13.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.35 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.1 p -75.71 -23.96 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 49.6 p30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 19' ' ' ASN . 13.0 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -98.8 127.6 44.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -117.9 143.95 45.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.245 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 58' ' ' ARG . 34.0 m-80 -83.92 168.74 15.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 -149.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.1 tt -55.18 -27.6 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 8' ' ' PRO . 72.0 t -118.04 137.47 24.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.08 47.23 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.521 HG23 ' N ' ' A' ' 10' ' ' ALA . 7.8 tp -120.19 -56.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.47 138.23 37.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.425 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 15.0 p90 -145.59 144.81 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 172.27 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.796 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -90.12 129.99 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.515 ' O ' ' O ' ' A' ' 18' ' ' LYS . 55.2 m -118.32 78.68 14.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.796 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.95 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.6 mm-40 -37.49 89.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.08 49.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 14' ' ' CYS . 7.5 mttp -138.99 71.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.773 ' O ' HD22 ' A' ' 1' ' ' LEU . 37.8 t30 -92.7 -0.25 57.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.27 138.56 50.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.772 ' SG ' HD23 ' A' ' 1' ' ' LEU . 6.8 m -114.73 154.31 28.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 6.1 p90 -143.48 158.91 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 2.0 pttt -145.52 122.25 11.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.529 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -93.45 121.26 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -108.16 142.54 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.547 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 ttt -84.76 133.01 34.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.3 mtp 63.41 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -123.18 160.23 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -88.11 -36.79 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -42.45 -46.43 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' ASP . 77.2 p -68.38 174.77 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -64.45 151.06 92.28 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.7 Cg_endo -74.85 166.66 28.8 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.547 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.1 m -113.23 -46.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.355 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -142.18 159.32 42.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.81 178.08 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 171.78 -173.01 44.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.62 161.91 13.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.55 178.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.83 -45.19 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.7 t -121.95 138.78 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -64.73 120.86 69.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 170.7 19.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 127.73 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 46' ' ' SER . 47.9 t30 -75.53 166.63 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 80.6 p -124.88 -177.8 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.11 -12.72 21.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -44.51 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -125.82 135.05 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -85.58 137.87 32.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -110.24 124.61 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.2 t -126.44 110.13 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 63.4 m -99.05 164.11 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.252 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -159.51 168.0 27.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 108.261 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.59 ' OD1' HG23 ' A' ' 56' ' ' THR . 48.1 p-10 -134.15 19.41 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.638 ' C ' HD11 ' A' ' 1' ' ' LEU . 11.0 p -118.76 142.78 47.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.522 ' N ' HD11 ' A' ' 1' ' ' LEU . 3.2 m-20 -60.78 137.98 58.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' HA ' ' ND2' ' A' ' 4' ' ' ASN . 26.1 mtp180 62.38 29.36 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 24.6 p -75.74 -31.33 59.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.9 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.503 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.503 ' H ' HD13 ' A' ' 1' ' ' LEU . 9.5 mtmt -126.2 120.19 29.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.93 145.4 42.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 171.25 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.96 -154.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -54.34 -32.67 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.456 HG12 HG22 ' A' ' 9' ' ' ILE . 54.2 t -110.84 130.72 22.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 46.86 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.456 HG22 HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -122.03 -42.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.46 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.88 129.22 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -145.53 154.13 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 169.73 16.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.209 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.791 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.73 133.43 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 18' ' ' LYS . 65.6 m -118.2 78.56 13.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.791 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -74.99 -48.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 1.6 mt-10 -38.02 91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 24.0 51.13 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.7 mttt -143.61 65.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 0.819 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.459 ' O ' HD23 ' A' ' 20' ' ' LEU . 25.5 t30 -94.39 26.82 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 40' ' ' ASP . 38.3 mt -142.9 126.55 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -101.63 154.46 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.445 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -145.98 151.98 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.673 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.58 118.91 8.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mpp? -93.98 133.12 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 98.6 m-85 -114.56 150.53 34.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.52 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 3.1 ttm -83.48 131.22 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' MET . 21.1 mmm 62.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -118.74 163.1 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -85.14 -38.19 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -40.52 -52.96 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.7 p -61.37 173.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.428 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -63.99 150.86 90.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.603 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.03 162.63 36.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.801 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.52 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.9 m -101.09 -35.76 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 26.9 tttt -157.47 153.24 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.515 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -165.12 140.06 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.35 -152.45 6.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -107.14 157.99 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 3.9 tt -162.58 177.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.544 ' O ' HD12 ' A' ' 20' ' ' LEU . 11.9 t70 -115.82 -34.74 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.41 137.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.6 t -75.52 119.57 77.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.84 34.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -68.8 131.5 45.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 46' ' ' SER . 42.3 t30 -75.6 166.25 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.585 1.178 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -127.98 172.45 10.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -84.14 -21.82 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.949 HD22 HD23 ' A' ' 47' ' ' LEU . 4.3 mm? -77.63 -59.68 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 25' ' ' PHE . 2.9 t -114.61 134.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -85.82 138.66 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-85 -109.31 130.52 55.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.5 t -130.86 110.92 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.6 m -101.95 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.63 174.04 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 108.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.38 16.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 8.0 p -113.14 145.21 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.67 140.93 58.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 58.44 28.57 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 28.8 p -76.63 -23.28 53.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.236 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.5 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.442 HD21 ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 6.3 mtpp -95.31 120.06 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.5 m -113.31 156.8 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.6 m-20 -102.54 171.46 7.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.03 -145.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.798 HD13 HH11 ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.67 -54.59 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.531 HG13 ' HD2' ' A' ' 8' ' ' PRO . 73.8 t -95.91 138.83 21.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.204 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.531 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.0 Cg_endo -75.05 47.26 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.802 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -122.69 -42.01 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -107.53 125.17 50.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 41.2 p90 -153.1 154.39 34.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 13.3 ptmt -142.32 -168.65 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.628 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -95.01 144.42 25.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.9 m -117.59 80.65 13.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.628 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.04 -43.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 17' ' ' GLY . 38.4 tt0 -40.18 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.61 47.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.078 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 14' ' ' CYS . 3.3 mttp -138.58 133.6 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.503 ' O ' HD23 ' A' ' 20' ' ' LEU . 12.4 t-20 -144.82 15.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 19' ' ' ASN . 75.7 mt -145.76 153.75 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -119.28 148.02 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 108.384 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 2.1 p90 -138.83 156.6 47.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -141.27 129.53 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.612 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 2.4 mtp -101.05 124.34 46.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.0 m-85 -108.34 144.58 35.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -84.39 135.56 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' MET . 48.0 mmm 62.69 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.5 m -124.55 161.88 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.451 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -90.05 -33.46 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.9 mt -42.07 -50.33 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 65.8 p -70.02 174.5 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -61.27 150.31 80.09 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.616 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 24' ' ' MET . 2.2 m -115.12 -41.76 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 164.7 33.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.798 HH11 HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -166.39 153.34 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.2 -172.3 29.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.6 m -97.71 160.45 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.4 tt -165.49 161.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -96.54 -32.86 12.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.7 140.78 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.383 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.84 126.42 91.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 108.307 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.66 3.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 47.0 mtmt -75.54 130.74 39.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.56 128.19 34.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -93.31 163.49 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.926 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -29.24 22.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -50.84 16.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -114.69 136.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -84.79 133.81 34.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.055 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.612 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-30 -104.53 128.71 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.2 t -130.49 118.13 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.181 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.9 m -108.02 155.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.5 168.17 28.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 108.342 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 6.4 p30 -132.41 27.47 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.0 p -116.54 141.99 47.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -63.53 129.48 40.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 65.65 34.75 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.226 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 56' ' ' THR . 14.5 p -75.68 -33.13 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 108.263 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.609 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.609 ' H ' HD13 ' A' ' 1' ' ' LEU . 38.9 mtpt -116.18 121.19 41.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -112.13 145.24 40.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -95.15 165.77 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -84.98 -153.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.638 HD12 ' NH1' ' A' ' 36' ' ' ARG . 2.7 tp -54.34 -43.57 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.451 HG13 ' HD2' ' A' ' 8' ' ' PRO . 25.5 t -101.43 136.25 19.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.451 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.96 46.79 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -120.63 -47.83 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.532 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -104.59 129.46 52.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.498 ' CZ ' ' HD3' ' A' ' 58' ' ' ARG . 37.5 p90 -154.73 154.42 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -142.95 -179.52 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.648 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.93 143.86 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.0 m -117.88 80.43 14.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.648 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.07 -42.22 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 6.6 mm-40 -38.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.19 46.24 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 18.2 mttt -140.43 137.58 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -145.53 16.18 1.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 40' ' ' ASP . 59.1 mt -146.44 158.19 43.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.6 m -121.82 154.01 37.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -145.56 151.39 38.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -139.26 126.85 21.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.806 ' O ' HG22 ' A' ' 34' ' ' VAL . 26.1 mtm -96.94 130.12 44.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.642 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 86.6 m-85 -115.38 146.92 41.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.532 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -86.96 128.87 35.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.3 mtm 60.77 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' MET . 33.3 p -108.32 157.52 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.477 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -93.62 -42.07 9.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ASP . 15.8 mt -40.36 -52.85 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' ASP . 59.4 p -61.43 179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.97 142.22 98.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.642 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.8 Cg_endo -74.92 171.48 18.21 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 24' ' ' MET . 17.9 m -94.91 -35.17 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -170.23 172.04 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.638 ' NH1' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -164.33 154.99 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.49 -164.66 15.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.5 m -106.38 157.25 17.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 tt -161.12 166.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.8 t0 -96.66 -37.74 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.99 138.26 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.09 121.17 74.94 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 169.44 22.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 132.33 42.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.4 166.45 23.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.9 p -120.53 178.88 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.12 -9.81 32.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.17 -55.77 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.83 136.87 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -85.34 137.95 32.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 0.0 109.208 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -109.5 123.03 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.36 114.68 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.7 161.35 13.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.257 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 1.7 p -155.0 172.22 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 27.5 p-10 -143.76 21.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -117.63 122.31 43.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' N ' HD11 ' A' ' 1' ' ' LEU . 11.3 m-20 -45.16 124.96 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HD3' ' CZ ' ' A' ' 11' ' ' TYR . 1.7 mtm105 75.47 30.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 17.6 p -75.63 -38.17 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.251 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 43.3 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.1 OUTLIER -109.32 144.98 36.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.386 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -145.43 159.23 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.53 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 1.4 m-80 -91.99 167.96 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.81 -141.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.444 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 2.4 tp -57.59 -24.09 54.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.538 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.1 t -124.8 139.25 32.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.538 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.92 47.41 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.529 HG23 ' N ' ' A' ' 10' ' ' ALA . 1.9 tp -123.74 -56.92 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -93.9 108.36 20.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.4 p90 -134.45 151.02 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -144.42 -178.67 6.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.72 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.82 147.65 26.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.5 m -117.74 78.2 11.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 108.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.72 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.8 mt-10 -40.25 93.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 25.98 48.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.6 mttt -139.87 145.77 38.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -147.32 -39.59 0.19 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 55' ' ' ASN . 80.2 mt -92.2 164.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.19 160.86 34.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -144.59 159.52 42.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HE2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -143.15 119.9 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CD1' ' A' ' 51' ' ' TYR . 35.6 mtm -91.68 128.55 37.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.631 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 93.1 m-85 -116.43 145.98 42.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.498 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.99 133.77 34.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' MET . 12.8 mtt 62.2 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -123.23 161.04 25.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -86.6 -32.24 20.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -44.4 -36.76 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.5 p -82.79 172.16 13.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.86 148.11 77.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.631 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.96 166.39 29.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 8.6 m -101.33 -35.26 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -157.81 165.91 34.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 1.5 ptt180 -165.91 152.44 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.34 -172.25 32.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.19 151.05 20.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -154.33 162.08 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -99.42 -30.88 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.79 134.75 53.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.63 119.46 57.44 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 108.36 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.81 132.63 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.506 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 33.7 t30 -74.78 149.75 39.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.3 p -105.27 154.34 20.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -12.43 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 48' ' ' LEU . 3.9 mm? -94.62 -43.91 8.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.7 t -121.65 138.83 50.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.8 tptp -86.36 132.48 33.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 3.8 m-30 -105.66 114.45 28.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.58 114.67 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.3 m -97.07 169.55 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 p -157.41 172.76 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.273 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.589 ' OD1' HG23 ' A' ' 56' ' ' THR . 40.6 p30 -144.51 18.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' OD1' ' A' ' 55' ' ' ASN . 31.7 p -119.09 145.75 45.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' N ' HD23 ' A' ' 1' ' ' LEU . 15.2 m-20 -61.02 136.87 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 63.52 30.83 15.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.409 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 24.1 p -75.38 -18.61 59.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 35.7 p-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.453 HD21 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -103.84 119.3 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 3.6 m -102.45 154.99 18.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -83.23 154.99 23.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.587 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -151.01 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 9.4 tt -49.82 -40.0 40.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.597 HG13 ' HD2' ' A' ' 8' ' ' PRO . 72.5 t -108.12 140.4 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.05 47.38 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.567 HG22 HG12 ' A' ' 7' ' ' VAL . 7.7 tp -127.04 -48.26 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -104.04 136.31 43.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 1.1 p90 -134.67 144.86 48.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 164.8 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.713 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -91.23 125.09 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.498 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' O ' ' A' ' 18' ' ' LYS . 74.2 m -118.04 80.05 14.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.713 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.1 Cg_endo -75.02 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.0 mp0 -38.04 90.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.97 48.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.5 mttm -136.48 72.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.364 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.52 ' O ' HD22 ' A' ' 20' ' ' LEU . 28.4 t30 -93.44 0.03 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -117.26 154.27 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.2 p90 -142.33 160.58 39.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.89 129.37 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.576 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -101.55 121.34 41.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 91.1 m-85 -107.83 136.97 46.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.725 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -84.71 126.11 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.948 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' SER . 4.6 mtt 43.54 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.4 t 91.37 150.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -96.67 -36.12 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.8 mt -42.3 -45.84 4.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.393 1.058 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' ASP . 68.5 p -63.88 172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.379 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -67.93 152.38 96.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.373 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.74 ' HB2' HH11 ' A' ' 36' ' ' ARG . 18.2 Cg_endo -74.95 159.57 41.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG11 ' HB2' ' A' ' 26' ' ' MET . 32.6 m -113.73 -38.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 1.6 pttt -144.11 159.26 42.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.74 HH11 ' HB2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -166.48 175.1 8.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.31 -177.92 47.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.71 164.3 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 tt -165.89 177.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 10.5 p-10 -110.55 -37.87 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 146.07 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.26 119.96 60.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.293 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.34 12.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -71.18 127.85 33.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 46' ' ' SER . 60.1 t-20 -75.06 147.5 40.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 63.3 p -106.82 158.76 16.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.4 -30.6 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.65 -53.74 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -108.73 135.25 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -86.13 129.93 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-30 -100.94 137.05 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.1 t -139.49 115.76 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.6 m -100.47 168.46 9.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 108.263 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -164.25 172.67 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -141.61 17.71 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 9.9 p -116.19 128.61 55.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' N ' HD21 ' A' ' 1' ' ' LEU . 4.4 m-20 -50.95 128.75 22.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 72.42 29.69 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 12.7 p -74.9 -44.14 50.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.54 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.54 ' H ' HD13 ' A' ' 1' ' ' LEU . 34.6 mtmt -123.25 122.84 39.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.9 m -113.82 149.26 35.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.7 169.37 8.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -89.86 -161.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -49.42 -33.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.693 HG12 HG22 ' A' ' 9' ' ' ILE . 81.0 t -111.09 129.8 23.62 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 47.1 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.693 HG22 HG12 ' A' ' 7' ' ' VAL . 8.0 tp -120.28 -40.08 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.41 124.5 49.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 14.2 p90 -142.79 157.78 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 174.73 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.916 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -85.96 142.84 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 18' ' ' LYS . 22.7 m -119.9 75.74 21.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.916 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.97 -45.28 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -35.48 94.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 27.4 45.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.9 mttp -140.96 135.79 31.55 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 0.765 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -145.9 18.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.8 mt -145.05 153.84 41.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -121.59 153.87 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.351 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 2.6 p90 -143.07 152.09 41.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 128.52 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.625 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 44.9 mtm -97.41 127.1 43.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 98.7 m-85 -113.12 144.55 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.8 ttt -83.94 134.91 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 63.07 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -124.88 162.42 24.43 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -87.05 -35.12 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 30' ' ' LEU . 18.2 mt -42.61 -45.6 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 74.9 p -72.39 171.72 11.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -60.47 149.49 77.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.637 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.01 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 24' ' ' MET . 5.9 m -107.7 -38.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.56 171.16 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 5.7 ptp180 -165.5 165.91 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.346 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.65 -179.41 43.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 m -93.65 160.53 14.73 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -164.82 167.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -106.76 -29.04 9.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.8 t -136.17 131.5 49.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.08 120.64 68.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 108.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.16 18.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.569 1.826 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -74.69 128.21 35.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -75.19 165.65 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -126.02 -173.03 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.25 -12.22 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.66 -53.54 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -122.23 138.77 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -87.6 135.28 33.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.625 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-30 -105.8 127.1 52.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.571 1.169 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.3 t -129.93 114.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.6 m -101.7 162.92 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.6 172.15 18.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.617 1.198 . . . . 0.0 108.289 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -137.66 23.35 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.451 ' C ' HD11 ' A' ' 1' ' ' LEU . 9.9 p -124.12 141.74 51.8 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.53 136.22 57.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 65.07 27.57 12.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.375 1.047 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.449 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -75.47 -20.73 58.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' C ' ' NH2' ' A' ' 36' ' ' ARG . 47.9 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 24.1 tp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -117.57 144.23 45.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -89.08 166.2 14.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -90.81 -152.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.15 -37.66 55.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.71 HG12 HG22 ' A' ' 9' ' ' ILE . 79.0 t -107.36 133.84 20.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.9 47.05 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.089 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.71 HG22 HG12 ' A' ' 7' ' ' VAL . 3.9 tp -122.73 -45.77 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.82 134.25 50.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -147.03 146.31 29.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -123.42 167.37 13.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.83 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.83 131.38 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.398 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.9 m -119.38 77.13 18.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.83 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.98 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 17' ' ' GLY . 42.3 tt0 -38.15 91.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.19 52.7 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 111.078 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 8.7 mttm -144.93 65.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -94.54 28.95 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 40' ' ' ASP . 27.1 mt -144.8 128.38 17.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.449 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 5.6 m -103.23 154.97 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 7.5 p90 -145.41 153.5 41.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.11 118.31 10.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.588 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.32 127.86 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 90.2 m-85 -112.77 146.75 38.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.621 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.3 ttp -83.57 136.71 34.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.6 mtp 62.32 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -123.98 165.22 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.22 -35.9 14.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.99 -49.47 4.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.368 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 p -65.62 178.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.4 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.62 150.16 97.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 169.81 21.79 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.446 1.761 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.621 HG11 ' HB2' ' A' ' 26' ' ' MET . 11.8 m -115.36 -39.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -145.7 150.25 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -167.31 146.28 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.43 -162.14 13.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -97.73 162.16 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 4.1 tt -165.39 177.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.808 ' O ' HD12 ' A' ' 20' ' ' LEU . 51.8 t0 -107.91 -51.33 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.8 t -121.26 138.79 50.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 t -64.86 121.66 74.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.87 15.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -68.07 129.21 39.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 47.4 t-20 -75.21 131.28 40.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.465 ' C ' HD13 ' A' ' 47' ' ' LEU . 63.8 p -87.46 165.66 15.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.827 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -86.04 -30.37 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.14 -49.24 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.604 1.19 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -111.93 135.78 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 131.39 34.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -103.88 119.85 39.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.59 110.99 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.8 m -100.16 161.48 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 108.214 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.99 168.01 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.486 ' OD1' HG23 ' A' ' 56' ' ' THR . 33.1 p-10 -133.87 17.31 3.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.486 HG23 ' OD1' ' A' ' 55' ' ' ASN . 8.6 p -115.31 140.62 48.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.93 137.33 58.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 63.42 28.17 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.465 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.8 p -74.83 -36.81 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 49.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.648 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.648 ' H ' HD13 ' A' ' 1' ' ' LEU . 6.7 mttm -123.73 122.08 37.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -113.73 144.5 42.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -92.75 178.97 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -96.33 -150.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.872 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.2 tm? -59.34 -33.2 70.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.377 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.596 HG12 HG22 ' A' ' 9' ' ' ILE . 61.7 t -114.43 136.87 22.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 47.66 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.596 HG22 HG12 ' A' ' 7' ' ' VAL . 4.2 tp -121.32 -43.21 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.71 118.67 35.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.621 1.2 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 31.4 p90 -144.17 157.05 44.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 -175.71 4.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.6 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -88.63 145.98 25.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.6 m -117.04 80.85 11.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.6 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.93 -44.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.506 ' O ' ' C ' ' A' ' 17' ' ' GLY . 41.0 mt-10 -40.85 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.35 45.83 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mttp -137.36 146.28 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 1' ' ' LEU . 16.4 t30 -147.41 -39.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 79.3 mt -91.64 159.59 15.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.4 m -125.41 156.45 38.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 108.262 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.8 p90 -144.77 156.28 43.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 14.3 pttt -145.78 113.88 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.576 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -85.77 134.77 33.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 41.6 m-85 -122.99 148.42 45.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.533 ' HB2' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -90.78 129.71 36.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.941 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' MET . 17.6 mtp 38.17 95.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' MET . 19.5 m 66.19 127.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.474 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -67.22 -23.03 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.9 mt -40.69 -53.34 2.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ASP . 60.4 p -69.99 175.74 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.86 147.96 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.99 168.32 25.09 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 24' ' ' MET . 4.3 m -97.83 -41.6 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 18.1 tttm -166.25 168.48 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -158.87 161.4 36.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . -170.05 -171.39 35.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.591 1.182 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -100.15 152.3 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -155.34 157.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.89 -32.07 17.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.43 135.72 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -64.88 121.79 75.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.572 1.828 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -65.24 129.12 38.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 31.0 t-20 -75.31 132.71 41.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -89.36 162.38 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -28.86 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.31 -51.41 10.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.4 136.27 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -84.59 132.11 34.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -104.75 103.45 13.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.4 t -105.17 105.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -94.34 169.11 10.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -162.14 174.8 12.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 108.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 38.4 p-10 -146.17 20.14 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.443 ' C ' HD11 ' A' ' 1' ' ' LEU . 16.4 p -118.33 140.29 50.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 12.1 m-20 -59.74 126.29 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 6.5 mtm180 77.41 26.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.7 p -75.42 -39.58 58.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.375 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 56' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.466 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 1.6 mtpt -105.24 140.71 37.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.7 m -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 108.346 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.549 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 8.1 m-80 -92.69 164.99 13.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.383 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.43 -143.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.542 HD23 HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -51.34 -39.24 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.542 HG23 HD23 ' A' ' 6' ' ' LEU . 53.1 t -111.11 136.54 20.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.3 Cg_endo -75.05 46.95 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.832 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -119.96 -41.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -111.1 126.24 54.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -144.49 152.1 40.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.4 171.82 13.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.858 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.49 137.37 33.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' LYS . 37.6 m -118.48 77.06 13.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 108.253 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.858 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.1 Cg_endo -75.1 -47.88 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 21.3 tt0 -36.45 89.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 23.2 49.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' GLU . 34.4 mttm -140.91 70.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.2 t30 -92.71 23.25 4.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 40' ' ' ASP . 49.2 mt -138.36 151.69 47.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 64.3 m -126.69 157.78 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.54 155.87 43.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.38 119.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.611 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 35.7 mtm -94.33 126.43 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 88.4 m-85 -112.75 146.42 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -83.51 134.99 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.87 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -117.62 167.66 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -95.32 -33.97 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.4 mt -44.91 -37.88 4.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ASP . 70.1 p -78.06 174.83 10.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.11 148.6 95.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 170.84 19.53 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.8 m -111.15 -34.55 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 5.8 tptm -152.4 155.57 37.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -166.42 141.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.71 -168.09 19.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -94.77 162.1 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 tt -165.46 176.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.807 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.2 t0 -109.94 -46.77 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.67 137.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.4 121.85 78.84 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 170.54 20.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 130.95 44.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 28.6 t30 -75.71 139.42 41.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 60.3 p -94.58 170.78 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -29.3 19.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.94 -55.71 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -105.8 136.59 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -84.77 132.81 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.06 117.98 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.12 112.79 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.369 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.1 m -96.25 159.84 14.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 108.347 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.2 p -154.88 169.21 24.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 108.312 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 10.7 p-10 -147.44 37.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.083 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.449 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 17.0 p -130.82 145.46 51.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.76 124.61 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 73.48 32.45 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.351 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 21.4 p -76.7 -44.18 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.328 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.441 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.0 p-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.516 HD11 ' SG ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -94.93 123.1 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -114.73 152.54 31.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -96.47 166.91 11.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.79 -146.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.0 tp -53.54 -45.64 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.51 HG13 ' HD2' ' A' ' 8' ' ' PRO . 78.4 t -107.37 137.82 19.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -74.95 46.66 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.783 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -120.69 -36.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.495 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.69 126.09 51.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -141.52 147.6 38.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CE ' ' O ' ' A' ' 13' ' ' THR . 7.9 ptmt -122.15 179.89 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.868 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -99.34 131.41 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.379 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LYS . 68.1 m -119.87 76.82 21.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.868 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.95 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.6 mt-10 -37.81 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.68 51.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 14' ' ' CYS . 10.2 mtmt -145.24 64.25 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.407 ' C ' HD23 ' A' ' 1' ' ' LEU . 62.9 t30 -93.92 29.52 2.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.049 HD12 ' O ' ' A' ' 40' ' ' ASP . 64.8 mt -142.8 124.17 14.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.516 ' SG ' HD11 ' A' ' 1' ' ' LEU . 3.9 m -99.41 155.44 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 4.7 p90 -144.29 155.11 43.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -142.97 124.66 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.596 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -99.37 126.28 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 92.4 m-85 -111.66 145.92 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.02 135.13 34.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.384 1.052 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.7 mtt 62.87 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.2 t -121.96 165.25 16.27 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.462 1.101 . . . . 0.0 109.954 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -91.29 -36.09 14.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -42.06 -45.82 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.4 p -67.29 -178.44 0.83 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -71.95 151.03 92.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 155.42 43.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 24' ' ' MET . 3.2 m -95.89 -39.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.89 159.98 44.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.43 152.77 8.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.95 -166.91 25.75 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -96.55 161.06 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.9 tt -165.09 176.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.227 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 1.049 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.3 t0 -105.36 -46.21 4.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.8 t -129.14 143.94 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.88 125.08 89.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.256 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.56 2.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mtmt -74.91 132.55 41.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.29 126.43 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' VAL . 72.4 p -90.23 151.62 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -28.81 58.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -48.49 22.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.3 t -118.02 136.96 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -84.35 133.89 34.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-30 -104.44 129.74 52.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -134.31 117.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -108.09 161.39 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -154.65 169.4 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 14.2 p-10 -136.88 30.93 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 7.8 p -129.92 147.41 51.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -61.19 141.38 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mtm105 52.49 34.16 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.472 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 27.4 p -76.0 -37.33 58.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.6 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.486 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.486 ' H ' HD13 ' A' ' 1' ' ' LEU . 12.3 mttt -118.75 125.49 49.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 m -117.79 143.07 46.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.1 m-20 -96.29 172.95 7.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.95 -150.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.692 HD12 HH22 ' A' ' 36' ' ' ARG . 6.9 tt -51.22 -48.63 62.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.45 HG13 ' HD2' ' A' ' 8' ' ' PRO . 38.3 t -101.1 136.22 19.76 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 47.3 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.75 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.414 HD13 ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -119.72 -45.09 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.95 129.21 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 27.2 p90 -146.7 153.45 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 172.81 9.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.807 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -94.06 133.1 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.357 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' LYS . 89.1 m -118.71 78.85 15.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.807 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.94 -47.23 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -39.89 91.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 27.75 49.78 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 14' ' ' CYS . 11.0 mtpt -138.5 66.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 0.727 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -93.77 26.33 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.942 HD12 ' O ' ' A' ' 40' ' ' ASP . 36.3 mt -145.14 129.09 17.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 28.0 m -104.82 153.56 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.1 p90 -145.22 153.63 41.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -136.41 126.75 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.405 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 47.5 mtp -96.17 118.09 32.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.61 ' O ' HG13 ' A' ' 49' ' ' VAL . 96.3 m-85 -107.98 139.13 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.646 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.4 ttm -90.9 140.73 29.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 26' ' ' MET . 18.3 mmm 65.23 -64.82 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.515 1.134 . . . . 0.0 111.09 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -141.42 160.63 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -88.66 -31.83 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.86 -46.94 5.48 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.3 p -72.13 178.21 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -68.02 152.47 96.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.98 152.27 40.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 26' ' ' MET . 16.0 m -95.11 -33.47 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 3.0 ptmm? -155.69 163.84 39.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.692 HH22 HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.67 172.02 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.78 -178.92 47.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 m -94.78 162.61 13.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.425 HD13 ' HG3' ' A' ' 43' ' ' PRO . 5.9 tt -165.45 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.942 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -105.93 -36.27 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.32 154.12 36.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.99 120.17 64.6 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HG3' HD13 ' A' ' 39' ' ' ILE . 18.2 Cg_endo -75.04 -173.19 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -64.63 -174.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -163.12 124.67 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -104.45 171.59 7.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.997 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -17.53 56.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -56.43 4.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 25' ' ' PHE . 4.9 t -114.95 129.32 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -84.47 126.47 33.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.398 1.061 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 5.2 m-85 -100.25 124.97 46.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.4 t -122.52 126.51 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.5 m -111.87 155.74 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 108.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 174.59 14.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -140.17 20.24 2.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.397 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.7 p -114.21 138.04 50.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.451 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD2' HD13 ' A' ' 1' ' ' LEU . 15.4 m-20 -61.68 127.41 31.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 73.9 28.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' THR . 23.3 p -75.04 -37.36 61.75 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 35.8 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 56' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -100.42 119.76 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -107.96 150.27 27.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 21.4 m-20 -93.84 162.21 14.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -87.66 -150.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -33.83 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 8' ' ' PRO . 71.7 t -113.78 138.43 22.7 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.94 47.5 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.561 1.822 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.79 -52.93 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -103.3 132.87 49.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 12.1 p90 -141.77 155.13 45.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 172.0 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.748 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -96.87 129.69 44.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' O ' ' O ' ' A' ' 18' ' ' LYS . 81.0 m -118.1 79.97 14.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.254 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.748 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.99 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.8 mm-40 -38.71 90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.15 48.95 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -135.97 72.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.535 ' O ' HD22 ' A' ' 20' ' ' LEU . 27.9 t30 -93.05 -2.84 55.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.47 137.8 51.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 15.4 m -114.89 150.28 35.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 5.6 p90 -138.6 156.88 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -140.6 126.44 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -97.67 123.16 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.8 m-85 -109.41 143.55 38.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.623 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.6 ttt -84.61 136.16 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' MET . 7.0 mtt 63.84 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -125.43 163.05 23.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.468 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -89.63 -36.64 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.62 -38.77 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' ASP . 40.4 p -74.16 172.6 11.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.1 mp -64.42 151.18 91.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.5 Cg_endo -74.89 152.72 41.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 26' ' ' MET . 11.5 m -100.54 -40.81 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 167.17 26.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.12 -176.4 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 174.67 178.22 44.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -94.72 160.29 14.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.67 178.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -114.97 -36.28 4.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.14 141.75 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.05 118.6 50.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.24 20.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.99 131.97 41.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 57.1 t30 -75.42 167.35 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.614 ' C ' HD13 ' A' ' 47' ' ' LEU . 2.0 p -119.14 176.25 5.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.82 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -95.91 0.49 52.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.75 -48.3 3.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -116.73 136.96 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -86.25 137.18 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -108.54 128.9 55.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.6 t -132.29 117.57 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 m -103.16 166.83 10.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.5 p -160.26 172.35 17.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 108.347 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -140.7 26.78 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -125.35 141.27 52.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.68 131.42 49.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 70.03 28.35 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 56' ' ' THR . 30.9 p -75.21 -44.66 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -108.37 123.34 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.29 155.32 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -101.03 173.88 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.53 -154.68 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' N ' HH21 ' A' ' 36' ' ' ARG . 2.3 tp -54.03 -39.38 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -105.06 135.16 19.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 47.36 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.651 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -122.47 -42.7 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -109.4 128.08 54.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 43.5 p90 -152.88 154.1 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -141.36 -165.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.729 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -97.14 143.99 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 21.4 m -118.0 78.88 13.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 108.364 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.729 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.03 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 30.1 mt-10 -42.09 93.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 30.89 42.54 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' GLU . 10.0 mttp -132.32 143.57 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -145.86 -42.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 55' ' ' ASN . 97.7 mt -93.94 166.85 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.422 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.5 m -129.53 151.42 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 4.3 p90 -138.97 157.67 45.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.99 126.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.59 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 2.3 mtp -96.46 123.33 40.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 84.2 m-85 -111.42 144.93 39.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.687 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 ttt -91.56 120.89 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.598 ' O ' ' CB ' ' A' ' 28' ' ' SER . 43.4 mmm 23.09 57.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.598 ' CB ' ' O ' ' A' ' 27' ' ' MET . 3.1 p 150.23 108.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.568 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -82.48 -44.04 16.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -41.16 -54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.3 p -59.51 173.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.88 149.35 90.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.08 153.33 41.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 26' ' ' MET . 34.6 m -93.72 -34.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.16 164.47 37.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.554 HH21 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -167.1 177.39 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.76 178.7 44.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.58 1.175 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -94.83 156.58 16.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.444 HD13 ' HG3' ' A' ' 43' ' ' PRO . 4.2 tt -161.65 161.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.91 -32.68 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.0 t -132.34 140.95 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.62 120.56 66.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.283 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HG3' HD13 ' A' ' 39' ' ' ILE . 18.6 Cg_endo -74.97 168.95 23.69 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.468 1.772 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -73.91 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 50.5 t30 -74.78 166.36 23.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.7 p -119.41 176.89 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.57 -6.35 49.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.6 -59.34 1.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -105.57 133.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -85.33 135.88 33.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.59 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -106.71 131.78 53.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.5 t -133.06 113.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.05 164.15 12.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.293 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -154.89 169.11 24.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' HB3' HD22 ' A' ' 20' ' ' LEU . 17.2 p-10 -136.4 22.49 3.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.427 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -123.24 147.35 47.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.589 ' N ' HD23 ' A' ' 1' ' ' LEU . 32.6 m-20 -60.48 141.75 56.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 53.84 33.96 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.427 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 21.3 p -75.73 -38.54 58.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.465 HD21 ' CA ' ' A' ' 56' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -95.5 119.28 33.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.27 149.27 32.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.255 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.443 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -94.88 170.32 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -95.42 -156.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' N ' HH21 ' A' ' 36' ' ' ARG . 3.4 tt -51.49 -36.61 45.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.4 HG23 HD23 ' A' ' 6' ' ' LEU . 94.3 t -107.77 132.36 21.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 47.23 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.456 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -121.99 -46.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.483 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.75 128.05 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 17.5 p90 -141.87 149.93 40.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.6 -174.03 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.866 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -102.69 135.64 43.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 18' ' ' LYS . 93.6 m -120.59 76.68 27.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.271 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.866 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.99 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.551 ' O ' ' C ' ' A' ' 17' ' ' GLY . 67.3 tt0 -37.85 90.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.72 48.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.57 1.168 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' CYS . 13.0 mttm -139.27 68.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -93.43 28.97 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 40' ' ' ASP . 21.4 mt -145.73 127.73 15.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -102.36 147.92 26.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.8 p90 -143.34 155.74 44.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.9 131.08 19.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.594 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -95.79 130.42 42.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' ' HG3' ' A' ' 23' ' ' LYS . 97.4 m-85 -113.66 140.12 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.648 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -90.03 124.19 34.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.559 ' O ' ' CB ' ' A' ' 28' ' ' SER . 91.1 mtp 41.56 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.3 p 89.76 154.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -104.91 -35.95 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.377 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.1 mt -42.34 -45.94 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 29' ' ' ASP . 67.2 p -67.12 171.9 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -66.12 152.36 94.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.06 167.46 26.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.648 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.5 m -110.18 -35.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -154.52 167.28 30.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.37 177.59 6.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.29 179.15 45.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -94.88 163.86 13.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 5.2 tt -165.47 176.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -104.79 -34.11 8.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.6 144.4 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.375 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t -64.24 119.43 55.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.28 27.39 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -71.05 128.82 37.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 46' ' ' SER . 48.0 t30 -74.7 166.36 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.6 p -115.87 179.87 3.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.66 -14.35 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.76 -52.47 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -108.47 137.46 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 139.46 30.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.2 m-85 -110.43 126.99 54.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.5 t -127.01 113.48 32.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 m -105.46 157.88 17.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.56 165.05 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.66 34.17 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.512 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 8.6 p -130.23 145.8 51.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.57 138.93 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 57.64 30.44 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 56' ' ' THR . 21.6 p -75.01 -35.41 61.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 48.5 p-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.633 1.208 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 33.9 mtpt -104.48 144.43 31.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 96.0 m -145.18 158.33 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.343 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 11' ' ' TYR . 1.4 m-80 -92.17 165.9 12.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.36 -139.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.4 tm? -58.11 -38.43 76.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 8' ' ' PRO . 67.7 t -107.55 136.02 19.67 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.0 Cg_endo -75.0 46.8 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.607 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -124.11 -42.84 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -105.4 125.18 50.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 45.0 p90 -148.81 153.37 38.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -144.94 -177.11 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.804 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.77 146.2 27.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.0 m -117.63 76.93 10.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 108.261 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.804 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.01 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.569 1.826 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 mt-10 -39.15 92.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 25.28 48.76 0.03 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' GLU . 64.5 mttt -140.08 145.27 37.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -146.95 -38.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 55' ' ' ASN . 72.8 mt -91.74 163.92 13.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -129.61 157.74 41.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 108.249 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 12.8 p90 -143.35 158.14 43.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -144.13 117.88 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 51' ' ' TYR . 24.2 mtm -87.99 130.08 35.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 33.6 m-85 -118.74 140.39 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.666 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 ttt -87.89 126.39 35.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 46.53 98.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.5 m 65.02 148.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -93.45 -20.94 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -45.22 -28.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 81.6 p -94.73 172.41 8.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.36 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -62.51 150.65 85.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 -179.82 5.36 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.441 1.759 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 26' ' ' MET . 8.5 m -117.07 -35.0 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -151.32 162.81 40.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' HG3' ' ND2' ' A' ' 60' ' ' ASN . 7.8 ptp180 -166.56 131.1 2.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.87 -171.39 14.61 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.443 1.089 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 m -98.78 151.73 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 tt -154.64 162.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -97.11 -31.77 12.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -136.55 135.66 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.61 119.28 58.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.86 15.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.58 130.02 39.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 46' ' ' SER . 31.6 t30 -74.71 147.73 41.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.9 p -91.0 171.19 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -25.2 23.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 -49.69 6.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.18 . . . . 0.0 109.254 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -102.44 158.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' CD ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -112.69 132.18 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.5 m-30 -102.57 115.92 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' CD ' ' A' ' 50' ' ' LYS . 2.5 t -116.02 110.58 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.9 m -94.44 165.07 12.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -157.78 173.84 16.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.475 ' HB3' HD22 ' A' ' 20' ' ' LEU . 28.8 p30 -144.61 17.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 67.4 p -111.22 138.07 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' N ' HD23 ' A' ' 1' ' ' LEU . 5.6 m-20 -61.58 122.08 14.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 29.8 mtp180 80.87 30.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 56' ' ' THR . 16.8 p -75.08 -41.92 57.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 36.4 p-10 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.828 HD11 ' N ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.509 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 13.4 mtmm -103.17 147.96 26.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -145.46 158.67 43.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.57 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 47.0 m-80 -90.53 169.76 10.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -142.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.595 HD23 HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -54.97 -26.17 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.595 HG23 HD23 ' A' ' 6' ' ' LEU . 87.7 t -125.72 136.27 28.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.1 Cg_endo -75.03 46.75 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.754 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 tp -122.0 -36.01 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.49 118.61 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' HB3' ' CG ' ' A' ' 4' ' ' ASN . 30.7 p90 -136.32 145.38 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.81 174.62 9.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.824 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -85.12 144.57 28.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 18' ' ' LYS . 19.3 m -117.88 76.85 11.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.341 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.824 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.09 -45.21 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' C ' ' A' ' 17' ' ' GLY . 20.8 tt0 -37.98 92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 26.06 46.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' GLU . 33.8 mttt -140.52 146.54 38.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 1' ' ' LEU . 13.4 t-20 -147.07 -37.04 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 55' ' ' ASN . 66.5 mt -91.21 161.29 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -130.63 159.23 37.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 17.2 p90 -144.48 154.49 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -138.98 122.5 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.585 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.09 131.92 39.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 95.8 m-85 -116.64 145.8 43.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.504 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 1.2 ttp -83.52 134.99 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' MET . 2.5 mmt 62.32 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' MET . 23.2 m -125.9 159.11 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.429 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -82.85 -31.68 27.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -45.95 -28.73 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.7 p -91.18 173.49 7.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.41 148.73 79.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.627 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -74.97 160.52 40.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 24' ' ' MET . 3.7 m -94.65 -33.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HG2' HG23 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -164.21 168.71 18.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -164.28 148.98 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.7 -175.56 27.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -97.79 149.76 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tt -154.04 167.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.96 -32.16 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.607 1.192 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.9 p -132.85 137.15 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -65.9 120.79 71.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.44 20.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -75.12 131.22 40.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 50' ' ' LYS . 41.3 t30 -74.97 165.64 24.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -120.88 176.35 5.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.056 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -92.38 -11.0 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -95.16 -55.9 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -110.57 137.97 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HD2' ' ND2' ' A' ' 45' ' ' ASN . 8.5 tptt -87.65 134.32 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.5 m-30 -105.83 122.26 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -126.71 119.65 54.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.3 m -99.41 169.18 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.353 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 2.2 p -158.68 173.99 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB3' HD22 ' A' ' 20' ' ' LEU . 42.5 p-10 -149.79 21.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.744 ' C ' HD11 ' A' ' 1' ' ' LEU . 69.7 p -119.61 143.97 47.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.828 ' N ' HD11 ' A' ' 1' ' ' LEU . 15.8 m-20 -60.55 128.21 35.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 71.37 33.0 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.323 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.8 p -74.53 -44.77 49.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 40.4 p-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.473 HD11 ' SG ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -99.41 125.49 45.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.1 m -109.44 148.96 30.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 108.289 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -93.79 165.79 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -95.19 -151.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.412 HD23 HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -55.78 -32.75 63.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.532 HG12 HG22 ' A' ' 9' ' ' ILE . 73.9 t -115.38 135.26 22.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 47.02 1.64 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.532 HG22 HG12 ' A' ' 7' ' ' VAL . 6.3 tp -121.79 -44.05 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.59 139.8 44.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -154.46 156.12 36.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.627 1.204 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 174.03 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.871 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -89.55 133.17 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 18' ' ' LYS . 28.4 m -120.73 76.79 28.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 108.309 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.871 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.03 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.5 tp10 -37.9 92.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 23.76 51.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -143.78 63.97 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 0.739 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 24.5 t30 -93.5 27.98 2.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 40' ' ' ASP . 45.8 mt -145.54 126.3 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' HD11 ' A' ' 1' ' ' LEU . 3.6 m -100.09 155.01 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 8.2 p90 -145.15 156.62 43.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.36 120.49 10.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.859 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -91.28 128.8 37.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 96.4 m-85 -114.47 145.23 42.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.512 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -84.71 135.96 33.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt 61.73 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -125.93 163.16 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.24 -35.99 19.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -41.26 -53.48 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' ASP . 73.0 p -66.17 176.04 1.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.79 148.23 87.82 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.01 172.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 24' ' ' MET . 30.4 m -101.71 -33.35 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.82 166.85 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -162.79 150.12 13.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.74 -165.37 16.54 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -98.6 158.26 15.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 3.8 tt -165.06 176.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.244 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.509 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -114.11 -30.21 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 t -132.53 137.53 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.33 118.75 56.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.44 35.32 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.591 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -75.93 164.26 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 11.5 m-20 -73.58 149.3 42.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 47' ' ' LEU . 15.0 p -77.18 -134.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.54 -60.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 47' ' ' LEU . 2.6 mm? -127.05 11.92 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 25' ' ' PHE . 3.6 t -104.27 133.38 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 137.18 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 44' ' ' LYS . 3.3 m-85 -110.23 113.27 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -109.46 157.1 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.16 162.8 34.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -154.85 170.8 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 108.354 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 18.3 p30 -137.5 28.13 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 10.1 p -129.68 143.26 50.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 1' ' ' LEU . 1.9 m-20 -60.56 135.81 57.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 64.18 29.07 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.432 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 25.0 p -75.15 -41.4 58.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.488 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 53.4 p-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.515 HD21 ' SG ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 5.3 mtmp? -96.55 120.0 36.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 m -109.13 146.34 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.514 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.1 m-20 -92.81 175.86 6.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.603 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -95.55 -153.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.65 -35.34 65.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 8' ' ' PRO . 70.5 t -109.64 137.93 20.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -124.42 -53.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -98.89 122.4 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.3 p90 -146.47 156.22 43.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -143.54 -174.25 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.919 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -92.66 144.7 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LYS . 20.8 m -120.15 75.44 22.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.919 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.4 Cg_endo -75.02 -42.47 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.443 1.759 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 2.7 tm-20 -41.49 92.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 31.47 44.93 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 16' ' ' GLU . 2.0 mmtp -137.36 134.06 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -146.54 18.29 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 60.6 mt -145.68 157.29 43.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' SG ' HD21 ' A' ' 1' ' ' LEU . 3.5 m -126.13 152.11 46.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.0 p90 -145.64 158.21 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.622 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.7 131.05 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.635 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 32.3 mtm -98.36 132.2 44.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.629 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -117.29 145.26 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.512 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 2.9 ttm -83.69 133.55 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 62.37 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.1 m -123.93 163.59 21.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -86.02 -35.4 20.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -42.0 -50.77 4.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 29' ' ' ASP . 71.9 p -66.84 179.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.36 149.25 98.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.629 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.92 170.21 20.91 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.557 1.819 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.3 m -104.71 -40.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -156.14 174.62 15.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.79 174.33 8.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' HA2' ' NH2' ' A' ' 36' ' ' ARG . . . 172.05 -177.79 44.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.79 155.8 16.65 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.509 ' CA ' ' HD3' ' A' ' 18' ' ' LYS . 3.4 tt -155.63 169.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.34 -34.84 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.33 138.78 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.77 118.02 53.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.26 18.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 131.44 40.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 46' ' ' SER . 31.0 t30 -75.3 165.73 24.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 91.5 p -120.51 178.3 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.063 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.05 -14.43 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.38 -50.99 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 1.8 t -116.63 139.02 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 25' ' ' PHE . 11.7 tppt? -90.96 137.34 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.635 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-30 -107.14 133.06 52.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -132.92 108.89 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -98.76 159.31 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.05 170.8 20.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 108.305 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.485 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 48.8 p-10 -140.47 34.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.506 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 8.0 p -132.27 144.78 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -62.15 133.16 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.1 mtm-85 64.79 29.84 12.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.471 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 31.4 p -75.25 -27.74 59.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 53.1 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' ASP . 13.6 mtpt -105.44 145.44 30.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 91.5 m -145.17 156.48 43.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.572 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . 44.2 m-80 -89.16 170.27 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -95.0 -140.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.773 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.4 tm? -53.63 -32.16 50.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.472 HG13 ' HD2' ' A' ' 8' ' ' PRO . 84.4 t -120.56 137.56 26.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.572 ' HA ' ' CB ' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.95 46.7 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 tp -123.23 -34.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -117.17 121.36 41.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 30.0 p90 -137.79 148.79 45.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 175.36 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.873 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -87.64 136.18 33.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' LYS . 21.4 m -119.75 76.17 20.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.873 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.04 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 22.5 mm-40 -36.08 89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 22.77 49.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 mtpp -138.8 74.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.637 ' O ' HD23 ' A' ' 20' ' ' LEU . 19.0 t30 -92.99 17.99 9.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 19' ' ' ASN . 87.1 mt -136.73 154.57 50.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.8 m -130.25 158.77 38.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 108.298 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.717 ' CA ' ' HZ3' ' A' ' 23' ' ' LYS . 23.9 p90 -145.61 158.39 43.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.717 ' HZ3' ' CA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -142.87 125.56 15.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -97.84 125.55 42.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.619 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -112.85 143.53 43.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.674 ' HB2' HG11 ' A' ' 34' ' ' VAL . 2.5 ttm -85.2 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 mtt 61.89 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.677 ' OG ' HG23 ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.19 161.86 13.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.932 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.13 -39.31 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.3 mt -44.39 -33.5 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.677 HG23 ' OG ' ' A' ' 28' ' ' SER . 81.7 p -75.16 -179.75 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -70.4 147.94 95.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.619 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.1 Cg_endo -75.03 154.05 42.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.674 HG11 ' HB2' ' A' ' 26' ' ' MET . 35.7 m -96.17 -34.24 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 2.1 pttm -151.85 162.94 40.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -165.92 -174.1 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 36' ' ' ARG . . . 162.7 -177.08 38.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.73 161.71 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 tt -164.86 171.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.5 t70 -108.5 -33.61 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.5 p -129.23 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 t -69.35 120.65 78.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 164.66 32.97 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -69.9 131.93 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.529 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 24.9 t30 -73.74 144.54 45.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.419 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 2.9 p -91.97 -179.51 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.32 -15.17 18.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.24 -52.04 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.5 t -106.38 138.67 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -87.12 133.73 33.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.56 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-30 -104.76 126.9 52.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.8 t -130.73 121.03 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.2 m -106.95 164.17 12.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 108.343 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.1 p -155.7 172.3 18.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 15.1 p30 -145.3 36.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.5 p -136.31 152.54 50.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 23.9 m-20 -61.59 141.41 57.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 50.27 36.81 13.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.35 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 56' ' ' THR . 28.1 p -75.71 -23.96 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 49.6 p30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 19' ' ' ASN . 13.0 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -98.8 127.6 44.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -117.9 143.95 45.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.245 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 58' ' ' ARG . 34.0 m-80 -83.92 168.74 15.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 -149.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.1 tt -55.18 -27.6 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 8' ' ' PRO . 72.0 t -118.04 137.47 24.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.08 47.23 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.521 HG23 ' N ' ' A' ' 10' ' ' ALA . 7.8 tp -120.19 -56.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.47 138.23 37.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.425 ' HB3' ' HA ' ' A' ' 4' ' ' ASN . 15.0 p90 -145.59 144.81 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 172.27 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.796 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -90.12 129.99 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.515 ' O ' ' O ' ' A' ' 18' ' ' LYS . 55.2 m -118.32 78.68 14.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.796 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.95 -49.01 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 17' ' ' GLY . 7.6 mm-40 -37.49 89.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 24.08 49.42 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' O ' ' O ' ' A' ' 14' ' ' CYS . 7.5 mttp -138.99 71.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.773 ' O ' HD22 ' A' ' 1' ' ' LEU . 37.8 t30 -92.7 -0.25 57.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -114.27 138.56 50.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.772 ' SG ' HD23 ' A' ' 1' ' ' LEU . 6.8 m -114.73 154.31 28.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 6.1 p90 -143.48 158.91 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 2.0 pttt -145.52 122.25 11.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.529 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -93.45 121.26 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 89.5 m-85 -108.16 142.54 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.547 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 ttt -84.76 133.01 34.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' MET . 3.3 mtp 63.41 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -123.18 160.23 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -88.11 -36.79 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -42.45 -46.43 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' ASP . 77.2 p -68.38 174.77 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -64.45 151.06 92.28 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.7 Cg_endo -74.85 166.66 28.8 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.547 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.1 m -113.23 -46.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.355 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -142.18 159.32 42.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.81 178.08 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 36' ' ' ARG . . . 171.78 -173.01 44.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.62 161.91 13.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tt -165.55 178.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.83 -45.19 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.7 t -121.95 138.78 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -64.73 120.86 69.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 170.7 19.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 127.73 33.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 46' ' ' SER . 47.9 t30 -75.53 166.63 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 80.6 p -124.88 -177.8 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.11 -12.72 21.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -44.51 9.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -125.82 135.05 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -85.58 137.87 32.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.3 m-85 -110.24 124.61 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.2 t -126.44 110.13 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 63.4 m -99.05 164.11 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.252 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -159.51 168.0 27.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 108.261 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.59 ' OD1' HG23 ' A' ' 56' ' ' THR . 48.1 p-10 -134.15 19.41 3.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.638 ' C ' HD11 ' A' ' 1' ' ' LEU . 11.0 p -118.76 142.78 47.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.522 ' N ' HD11 ' A' ' 1' ' ' LEU . 3.2 m-20 -60.78 137.98 58.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' HA ' ' ND2' ' A' ' 4' ' ' ASN . 26.1 mtp180 62.38 29.36 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 24.6 p -75.74 -31.33 59.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 44.9 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.503 HD13 ' H ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' H ' HD13 ' A' ' 1' ' ' LEU . 9.5 mtmt -126.2 120.19 29.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.93 145.4 42.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 171.25 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.96 -154.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 tp -54.34 -32.67 57.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.456 HG12 HG22 ' A' ' 9' ' ' ILE . 54.2 t -110.84 130.72 22.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 46.86 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.456 HG22 HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -122.03 -42.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -112.88 129.22 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -145.53 154.13 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 169.73 16.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.209 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.791 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -84.73 133.43 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 18' ' ' LYS . 65.6 m -118.2 78.56 13.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.791 ' HD3' HG22 ' A' ' 13' ' ' THR . 18.2 Cg_endo -74.99 -48.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 17' ' ' GLY . 1.6 mt-10 -38.02 91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' A' ' 16' ' ' GLU . . . 24.0 51.13 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.7 mttt -143.61 65.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 0.819 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.459 ' O ' HD23 ' A' ' 20' ' ' LEU . 25.5 t30 -94.39 26.82 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 40' ' ' ASP . 38.3 mt -142.9 126.55 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -101.63 154.46 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.328 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -145.98 151.98 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.673 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.58 118.91 8.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mpp? -93.98 133.12 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 98.6 m-85 -114.56 150.53 34.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.52 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 3.1 ttm -83.48 131.22 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' MET . 21.1 mmm 62.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -118.74 163.1 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -85.14 -38.19 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -40.52 -52.96 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASP . 82.7 p -61.37 173.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.428 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -63.99 150.86 90.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.603 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.03 162.63 36.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.801 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.52 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 4.9 m -101.09 -35.76 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 26.9 tttt -157.47 153.24 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.515 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -165.12 140.06 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.35 -152.45 6.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -107.14 157.99 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' LYS . 3.9 tt -162.58 177.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' O ' HD12 ' A' ' 20' ' ' LEU . 11.9 t70 -115.82 -34.74 4.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.41 137.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.6 t -75.52 119.57 77.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.84 34.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -68.8 131.5 45.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 46' ' ' SER . 42.3 t30 -75.6 166.25 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.585 1.178 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -127.98 172.45 10.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -84.14 -21.82 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.949 HD22 HD23 ' A' ' 47' ' ' LEU . 4.3 mm? -77.63 -59.68 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.239 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 25' ' ' PHE . 2.9 t -114.61 134.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -85.82 138.66 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 3.4 m-85 -109.31 130.52 55.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.5 t -130.86 110.92 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.6 m -101.95 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.63 174.04 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 108.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.38 16.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 8.0 p -113.14 145.21 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.67 140.93 58.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 58.44 28.57 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 28.8 p -76.63 -23.28 53.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.236 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.5 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_