data_2dne_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 2dne _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.8 tt0 -139.68 124.19 18.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 0.777 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -83.43 139.54 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -111.32 97.76 37.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.01 122.52 7.25 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 43.0 tp -39.99 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.1 Cg_endo -75.11 131.57 14.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.6 p -63.96 107.25 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.979 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.66 22.86 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.18 171.99 6.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 p -93.3 35.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.475 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 ttt -73.5 111.97 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -104.91 -25.68 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.3 147.64 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -130.52 -175.03 13.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -135.79 128.16 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 50.1 mm -66.38 92.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.16 -63.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.58 154.03 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 42' ' ' ALA . 81.6 m95 -99.55 82.32 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' TRP . 4.2 mm-40 -38.81 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 21.3 mmtt -114.26 161.06 18.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.22 179.82 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -69.82 130.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.16 -9.74 73.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.72 131.74 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -71.49 135.08 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -119.25 140.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.76 144.43 50.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.03 123.66 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.36 -41.91 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -47.37 132.82 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD11 ' CA ' ' A' ' 52' ' ' GLY . 17.0 tp -63.66 126.67 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 53.2 mt -93.37 -37.48 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.566 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . -177.02 166.93 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.369 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -111.62 144.18 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.24 136.0 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -96.65 116.64 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.441 ' C ' ' N ' ' A' ' 48' ' ' LYS . 48.9 p -122.44 156.09 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -73.99 -53.32 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 167.32 -174.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 m -78.68 108.28 11.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.43 165.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -120.22 124.04 5.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -90.54 115.08 27.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.15 154.18 18.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 33.5 t -71.08 158.74 35.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -176.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -74.02 143.99 45.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 p 169.99 -174.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.36 151.34 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.5 tpp -63.3 109.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.18 -67.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' ILE . 4.4 tptt -148.31 146.7 28.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 54.2 mt -110.95 75.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 78' ' ' ILE . 47.4 mt -45.49 -59.86 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.416 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.3 t -93.23 121.41 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.24 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.477 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -86.73 130.43 34.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.19 -23.86 17.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 88.5 m -54.29 102.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.561 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 61.9 mtm180 -92.44 149.27 21.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 12.6 t0 86.52 35.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 70' ' ' THR . 5.2 t -87.01 115.56 63.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.2 Cg_endo -74.96 164.99 32.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 75' ' ' ILE . 3.1 mm -79.89 132.25 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.88 -19.37 54.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.6 108.54 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.467 ' CG2' HD12 ' A' ' 65' ' ' LEU . 5.2 mm -39.9 123.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.9 pt -96.78 -31.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 14.0 p -165.5 177.48 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.3 mt -129.82 154.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 8' ' ' GLN . 23.4 p -130.66 152.67 49.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.58 -173.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.38 -9.86 28.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.66 154.98 32.26 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.5 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -16.24 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 -33.65 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 93' ' ' LYS . 97.6 mt -44.41 -55.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -51.07 7.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.23 73.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.7 m-85 -84.01 -9.2 58.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 89' ' ' ILE . 13.6 tttt -59.53 -30.61 68.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -119.18 70.89 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -117.66 144.96 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.137 . . . . 0.0 110.428 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 82' ' ' THR . 2.1 tt0 -143.22 122.0 12.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -79.16 136.93 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.8 97.81 39.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 131.1 14.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.4 tp -46.26 104.28 0.39 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.194 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -64.75 110.12 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.0 mt -96.84 13.48 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.36 169.99 9.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.0 p -92.19 32.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.414 ' C ' HD12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -68.24 131.22 44.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -118.91 -35.21 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.15 147.77 11.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.83 -173.56 13.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 m -136.76 137.96 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 31.9 mm -73.51 87.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -151.24 154.18 36.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.543 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 48.2 m95 -100.73 80.52 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -37.6 -36.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -110.63 171.13 7.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -134.66 177.46 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.45 132.11 47.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.05 34.62 41.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -113.44 158.93 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -95.33 134.67 37.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CG2' ' OD1' ' A' ' 39' ' ' ASP . 11.5 mt -123.64 131.88 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 74.5 m-20 -113.63 133.75 55.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -38.62 120.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.03 -34.26 5.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' OD1' ' CG2' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -50.61 161.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 tp -93.21 113.6 25.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.0 mt -73.77 -50.27 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.543 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.47 169.62 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.41 158.44 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.42 134.64 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -96.4 121.94 38.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -125.03 168.45 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 -23.68 2.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -80.91 -59.54 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 173.95 -174.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.3 m -77.35 116.57 18.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.48 166.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.7 114.99 2.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -84.04 115.18 22.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.976 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -94.41 162.67 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.236 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -81.66 153.21 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.62 -25.57 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -144.59 173.15 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.71 122.94 33.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.3 p -170.15 -171.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -123.39 162.22 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -70.93 118.69 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.417 ' CB ' HG13 ' A' ' 83' ' ' VAL . . . -83.8 -63.46 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -149.05 148.68 29.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 49.0 mt -113.11 76.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 78' ' ' ILE . 39.2 mt -44.98 -59.99 2.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.6 t -94.16 121.39 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.41 -177.05 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.486 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.07 129.71 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 112.77 -26.13 11.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.463 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 82.0 m -54.05 102.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 99.6 mtt180 -90.09 150.01 22.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.4 t0 83.71 40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 70' ' ' THR . 13.5 t -85.89 114.46 57.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.04 43.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -75.02 136.63 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.195 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.7 -16.29 61.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.573 1.171 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.41 108.03 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 65' ' ' LEU . 4.1 mm -40.3 123.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.3 pt -96.45 -29.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.5 p -166.87 176.1 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 108.267 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 82' ' ' THR . 1.4 mt -129.84 155.31 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 7.1 p -128.68 160.26 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.417 HG13 ' CB ' ' A' ' 62' ' ' ALA . 26.9 m -133.54 -170.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.07 -18.35 9.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -143.78 157.91 57.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -13.04 21.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.35 -9.4 59.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 70.2 mt -69.8 -53.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.5 -33.64 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.05 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 95' ' ' TYR . 2.2 m-85 -92.82 -7.05 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.38 -21.11 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -126.19 60.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.454 ' CD2' ' CE1' ' A' ' 92' ' ' PHE . 18.3 t80 -101.97 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.9 OUTLIER -140.12 123.11 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -80.59 138.65 36.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -113.08 95.5 34.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.3 10.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.2 tp -43.03 102.34 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.13 26.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.574 1.828 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 p -62.78 107.97 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.37 6.67 47.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.211 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.89 165.18 18.16 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -54.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.584 1.834 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -97.15 36.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.42 ' C ' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -77.36 134.34 38.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.19 -37.39 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.0 149.42 14.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.68 -173.3 13.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 m -139.36 137.36 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.36 91.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -63.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 150.15 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 66' ' ' VAL . 20.0 m95 -95.34 76.27 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -39.88 -29.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 27' ' ' TRP . 31.4 mmtt -125.27 128.0 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.69 -177.34 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 62' ' ' ALA . 9.1 mt-10 -69.75 136.06 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.89 6.34 89.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 126.66 37.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 137.08 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.378 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mt -122.23 127.11 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -107.03 138.61 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.82 119.22 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.52 -44.64 1.43 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -44.72 140.36 2.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.24 130.16 42.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mt -93.77 -45.56 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.79 166.95 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -112.72 136.48 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.2 t -117.17 133.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.54 118.92 31.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -117.05 170.31 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.33 -17.2 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 1.2 mmtt -86.95 -48.9 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.46 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -76.96 110.26 11.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.19 163.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.28 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.69 120.98 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 0.799 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.8 169.24 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -87.44 153.85 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -157.74 170.03 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -74.97 143.64 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p 168.5 -173.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -125.36 151.41 46.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.5 tpp -61.38 111.04 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' O ' ' OE2' ' A' ' 31' ' ' GLU . . . -75.23 -65.63 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -144.82 150.53 37.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.417 HG22 ' CE2' ' A' ' 27' ' ' TRP . 71.9 mt -117.29 79.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 78' ' ' ILE . 51.7 mt -47.38 -57.09 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.473 HG11 ' CG2' ' A' ' 70' ' ' THR . 6.5 t -86.15 119.8 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.66 -162.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.55 138.61 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' THR . . . 93.11 -30.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.473 ' CG2' HG11 ' A' ' 66' ' ' VAL . 77.3 m -36.37 104.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.438 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 16.3 mtp180 -94.75 153.28 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 m-20 78.24 50.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.2 t -92.78 113.46 59.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 156.25 42.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.433 1.754 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.42 HD13 ' C ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -73.09 141.07 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.87 -10.15 66.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 107.17 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 65' ' ' LEU . 3.6 mm -40.35 120.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 49.1 pt -92.79 -31.17 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.4 p -166.62 174.71 8.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 82' ' ' THR . 1.3 mt -128.27 156.51 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.9 p -129.06 159.21 36.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG23 ' CG1' ' A' ' 89' ' ' ILE . 2.0 m -135.7 -176.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.13 -10.46 39.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' OD2' ' A' ' 88' ' ' ASP . 1.6 ptpm? -150.47 157.54 36.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.342 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -36.94 2.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.24 -22.84 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' OD2' ' CG ' ' A' ' 85' ' ' LYS . 0.9 OUTLIER -84.38 -31.29 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' PHE . 53.2 mt -52.94 -52.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -46.81 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.03 82.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.4 m-85 -80.67 -8.43 59.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -13.11 57.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -132.88 52.96 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.61 158.27 16.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -139.57 120.79 14.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -80.5 141.72 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 t -113.01 95.36 34.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.91 130.57 13.49 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -45.28 103.72 0.36 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 139.96 24.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.66 107.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.28 9.16 35.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 165.79 16.71 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 0.0 110.005 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.93 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.9 p -94.47 32.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.416 ' C ' HD11 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -73.22 134.98 44.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.4 OUTLIER -121.1 -37.02 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.11 148.73 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.51 -173.49 13.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.9 m -139.01 130.66 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 0.809 . . . . 0.0 110.477 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 3.4 mm -66.13 92.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.05 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.19 154.52 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.545 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 42.5 m95 -99.37 85.59 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.09 -26.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -119.98 162.14 19.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' MET . 2.1 mmmm -128.51 -177.51 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.99 123.78 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.09 -1.91 65.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.85 135.17 34.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.74 136.19 41.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.8 mt -115.1 118.24 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.61 134.78 47.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.88 122.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.97 -37.08 3.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.19 135.16 57.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 tp -62.39 144.45 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.1 mt -108.5 -42.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -173.57 151.27 1.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -96.65 142.13 29.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.6 134.25 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -95.55 121.67 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.228 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -127.37 167.03 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.1 -21.37 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.9 tttp -81.03 -52.14 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.238 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.88 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.5 m -79.16 107.86 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -91.18 165.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.28 119.82 3.99 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -86.53 116.55 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.34 165.77 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -78.63 156.03 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -104.01 -12.08 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -174.43 171.52 3.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.38 140.4 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 p 177.18 -171.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 108.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -131.15 149.21 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.38 109.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.73 -67.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -149.76 148.94 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.516 HG22 ' CE2' ' A' ' 27' ' ' TRP . 34.8 mt -113.2 77.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 78' ' ' ILE . 46.2 mt -45.86 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.4 t -91.8 117.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.35 -176.62 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.84 136.08 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.07 -19.71 45.49 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.436 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 25.7 m -56.06 102.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 0.808 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 8.4 mtt180 -88.5 149.3 23.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 82.91 45.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 70' ' ' THR . 19.6 t -89.96 113.15 56.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.46 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.416 HD11 ' C ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -72.79 138.73 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.23 -14.58 61.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.84 112.76 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 65' ' ' LEU . 3.5 mm -45.2 123.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 pt -97.03 -29.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.506 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 32.1 p -167.27 174.31 8.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.298 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.62 153.37 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 p -127.97 151.67 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.81 179.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.49 -13.54 38.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 157.27 35.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.73 8.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.38 -24.42 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.35 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 93' ' ' LYS . 71.8 mt -44.26 -51.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -48.98 -42.72 38.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.2 -35.13 78.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 7.5 m-85 -83.94 -8.57 59.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 7.1 tttm -52.89 -27.24 17.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -129.2 78.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -120.4 136.38 54.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.9 tt0 -143.12 121.67 12.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 0.814 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -78.78 140.9 38.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.67 97.25 36.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.06 124.75 8.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 62.5 tp -40.36 100.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.81 15.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.3 p -65.54 107.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.6 mt -91.71 23.06 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.8 171.46 7.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -65.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -91.7 34.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ttt -73.57 112.55 9.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.27 -25.29 12.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.0 147.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.09 -178.41 15.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -134.47 125.18 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.383 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 38.0 mm -63.68 98.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -58.38 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.6 152.15 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 84.3 m95 -96.19 91.97 6.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -50.05 -22.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -119.61 168.1 11.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 61' ' ' MET . 1.2 mmtt -125.14 -175.11 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.34 128.54 33.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.452 ' HA2' ' CD1' ' A' ' 89' ' ' ILE . . . 83.67 20.15 60.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.46 135.97 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -67.59 138.13 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 97.6 mt -120.7 119.05 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -106.23 139.33 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.22 120.57 2.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.92 -36.05 4.58 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.128 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -53.09 147.86 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 28' ' ' GLU . 6.4 tp -75.82 124.37 27.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -91.11 -45.01 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 156.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' ALA . 29.2 mt-10 -102.3 140.67 36.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.57 135.58 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -99.02 115.01 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.3 p -117.88 167.3 11.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.051 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.59 -22.44 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 7.3 tttt -80.24 -52.43 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 168.17 -174.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 m -80.14 111.51 16.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.137 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.1 t -92.79 165.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.13 115.44 2.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -81.29 108.54 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 0.758 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -91.89 144.28 25.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -67.31 136.19 54.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -111.12 19.49 18.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -165.29 -175.85 3.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.26 109.03 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 p -156.5 -173.89 4.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -119.32 150.22 40.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -62.49 99.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.0 -69.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -147.24 151.44 36.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.476 HG21 ' CE2' ' A' ' 27' ' ' TRP . 54.4 mt -115.52 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 78' ' ' ILE . 42.4 mt -46.25 -59.3 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 79' ' ' ILE . 5.3 t -90.53 118.08 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 -171.98 3.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.49 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.28 -20.06 28.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 18.2 m -54.82 103.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.737 . . . . 0.0 110.382 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 77.2 mtm180 -93.16 147.55 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 7.8 t0 86.23 37.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.361 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.3 t -89.13 114.71 61.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.49 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.96 164.15 33.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 75' ' ' ILE . 3.0 mm -79.08 130.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.9 -20.46 47.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 109.36 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 0.816 . . . . 0.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.473 ' CG2' HD13 ' A' ' 65' ' ' LEU . 4.3 mm -39.73 129.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.46 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 39.8 pt -104.77 -27.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 31.2 p -169.37 173.1 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.511 HG23 ' CE1' ' A' ' 92' ' ' PHE . 1.2 mt -125.69 156.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.8 p -129.04 151.22 49.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.0 m -134.0 -172.49 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.83 -12.49 10.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -145.69 154.96 52.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.46 20.74 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.533 1.807 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.67 -23.62 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -23.31 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.452 ' CD1' ' HA2' ' A' ' 32' ' ' GLY . 33.1 mt -59.41 -41.14 83.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -34.15 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.2 -31.36 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.511 ' CE1' HG23 ' A' ' 81' ' ' ILE . 2.8 m-85 -86.5 -25.85 24.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -37.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -114.57 69.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -114.19 151.5 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.6 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -129.93 127.59 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -80.43 136.3 36.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.52 97.16 35.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.33 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.4 tp -46.89 104.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.69 28.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.43 108.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -94.63 13.24 24.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.03 169.24 10.58 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -62.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.565 1.824 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.0 p -94.02 33.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.412 ' C ' HD13 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -68.56 134.58 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.9 OUTLIER -121.35 -37.36 2.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.5 145.83 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -171.76 13.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.1 m -137.47 138.17 39.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.388 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' A' ' 27' ' ' TRP . 4.5 mm -75.84 85.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.32 -65.41 0.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 156.6 41.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 73.7 m95 -105.06 80.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -38.63 -32.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 24.4 mmtt -122.87 136.22 54.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -105.0 -170.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.92 134.46 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.04 80.34 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.88 139.19 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttm -79.76 137.59 37.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 18.3 mt -118.15 98.11 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -77.8 133.45 38.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.64 124.9 1.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.41 -34.28 5.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.19 150.73 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.5 tp -77.7 122.22 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.0 mt -84.12 -44.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.29 164.5 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -107.39 156.58 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.1 t -133.51 137.17 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.33 121.43 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.3 p -127.26 165.02 20.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -22.72 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -79.86 -52.19 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -79.5 111.48 15.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.96 163.5 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.4 108.16 1.24 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -75.32 117.57 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.85 164.76 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -94.33 144.38 25.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.7 mt -117.98 17.16 14.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.2 172.17 17.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.3 120.07 41.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 p -170.95 -173.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -123.44 151.37 42.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -61.6 115.29 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.954 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' ' CA ' ' A' ' 82' ' ' THR . . . -78.79 -65.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 31.1 tptt -148.2 148.82 30.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 60.0 mt -112.34 75.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 78' ' ' ILE . 51.0 mt -41.73 -61.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.77 119.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.57 -174.46 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.85 128.54 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -30.63 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.44 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 26.6 m -53.12 101.94 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 8.1 mtm180 -88.68 149.4 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t70 85.93 40.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 70' ' ' THR . 20.7 t -84.95 114.15 54.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.95 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.412 HD13 ' C ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -73.09 139.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 -17.79 51.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 108.96 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 65' ' ' LEU . 3.9 mm -39.54 132.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 pt -105.87 -29.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.1 p -167.16 174.96 7.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.3 mt -129.91 154.6 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.416 ' CA ' ' HB1' ' A' ' 62' ' ' ALA . 69.3 p -126.77 155.32 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.2 -173.65 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.56 -13.69 29.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -150.36 158.34 36.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.14 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.48 -19.89 64.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -33.71 20.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 93' ' ' LYS . 68.6 mt -46.11 -55.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -45.63 -44.75 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.77 79.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.4 m-85 -86.2 -6.98 58.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.9 ttpt -58.75 -32.55 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -115.86 68.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -116.82 145.22 43.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -123.07 127.28 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.35 135.19 35.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.7 t -110.39 98.92 38.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 126.08 9.76 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.562 1.822 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 49.9 tp -41.58 101.22 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.7 p -66.23 108.05 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.97 169.4 10.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 p -97.08 37.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.468 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ttt -78.16 112.61 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -105.09 -24.86 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.35 145.92 5.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.55 -175.8 14.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -134.69 133.6 40.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.479 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 47.8 mm -71.79 90.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.99 -63.96 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.79 156.26 39.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 42' ' ' ALA . 50.7 m95 -104.28 79.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 16.4 tp10 -38.11 -32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' TRP . 46.0 mmtt -111.52 164.54 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -130.11 178.53 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.69 122.16 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.95 37.61 11.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.78 123.19 41.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -61.35 132.79 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.03 104.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -82.5 129.74 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.81 123.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.402 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 104.86 -38.9 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.46 151.44 3.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.7 tp -77.98 130.71 36.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -91.59 -47.94 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . -170.98 161.99 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.85 157.54 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -137.61 136.32 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -98.67 122.63 42.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 p -127.34 165.62 19.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.52 -22.31 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -81.02 -52.03 7.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.26 -175.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 m -79.07 112.76 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.02 165.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.61 110.58 1.51 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -78.3 112.97 15.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 24.0 mt-10 -92.79 169.33 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -95.95 137.16 35.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.937 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -109.24 12.86 24.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.33 169.73 20.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -102.49 122.15 43.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -170.87 -173.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.0 157.1 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.8 tpp -66.23 112.83 4.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.04 -59.44 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -149.55 147.69 28.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 41.7 mt -113.42 79.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 78' ' ' ILE . 52.8 mt -50.22 -57.6 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 2.9 t -96.73 123.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.16 -176.44 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -83.7 128.21 34.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 114.93 -29.84 7.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 59.2 m -49.21 102.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 69.1 mtt180 -92.23 149.44 21.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.0 t70 85.88 36.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.9 t -87.21 115.1 61.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.492 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.95 164.67 32.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.556 1.819 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.6 mm -80.64 129.93 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.51 -20.98 42.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.13 109.68 3.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 65' ' ' LEU . 4.3 mm -39.89 129.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.7 pt -100.11 -33.65 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 24.7 p -166.28 175.26 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 82' ' ' THR . 1.4 mt -128.45 154.55 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.416 ' N ' HG21 ' A' ' 81' ' ' ILE . 32.6 p -134.6 155.58 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.08 -179.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.9 -11.97 41.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 155.71 67.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -17.94 19.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.15 -25.52 58.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.7 -16.74 58.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 93' ' ' LYS . 40.7 mt -65.19 -53.27 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.97 -29.68 43.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.78 -21.23 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 1.5 m-85 -102.66 -11.2 18.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 3.4 tttm -52.87 -21.53 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -126.04 71.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -120.22 142.63 48.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.3 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 110.377 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -124.02 125.99 45.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -80.1 139.19 36.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.45 96.49 36.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.14 11.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.771 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.61 103.35 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.14 32.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.8 p -64.34 110.14 2.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.6 mt -97.32 9.86 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.68 169.35 9.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -90.79 32.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.412 ' CG ' HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -71.19 129.54 39.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -117.91 -32.59 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.63 150.61 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.74 -175.89 14.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.4 m -137.68 127.51 25.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 22.2 mm -63.29 87.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.25 -64.88 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.67 150.9 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.535 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 53.8 m95 -97.39 79.91 2.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.29 -35.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -114.52 152.86 31.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -118.39 179.24 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.29 130.83 44.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.37 16.97 67.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.2 128.9 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 0.717 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -68.07 136.27 53.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -121.01 117.86 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 1.6 m120 -100.57 134.4 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 1.6 tm-20 -38.92 119.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 -29.75 10.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.43 132.71 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.15 122.57 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.5 -47.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -171.87 162.61 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.75 138.08 44.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 94.1 t -120.6 136.5 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.35 115.81 28.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.0 p -109.33 167.88 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -54.63 -19.79 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -84.49 -55.5 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 175.05 -173.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.226 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -75.56 118.66 18.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -107.09 147.1 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.33 125.71 8.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -94.11 109.89 21.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.12 158.6 16.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -84.0 147.71 27.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.6 mt -116.07 15.68 16.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -162.93 -179.33 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -113.18 124.42 52.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 p -177.03 -173.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -120.63 157.13 30.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.75 114.44 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.26 -64.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -148.37 148.9 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.5 HG21 ' CE2' ' A' ' 27' ' ' TRP . 39.2 mt -113.32 74.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 78' ' ' ILE . 42.7 mt -41.9 -61.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.2 t -93.43 118.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.37 -177.39 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.14 127.73 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.229 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 115.97 -28.17 7.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 52.1 m -52.29 101.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 53.2 mtm180 -88.27 149.05 24.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER 84.31 43.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.6 t -88.35 114.44 59.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.16 42.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.412 HD12 ' CG ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -76.32 133.48 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.58 -12.38 66.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ILE . . . -74.88 108.26 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 65' ' ' LEU . 3.7 mm -39.86 124.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 pt -97.38 -33.72 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 25.0 p -163.08 175.04 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 108.368 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 82' ' ' THR . 1.2 mt -129.23 156.11 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.409 ' N ' HG23 ' A' ' 81' ' ' ILE . 66.3 p -129.22 152.1 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.4 -172.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.57 -23.7 10.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.93 64.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -23.31 13.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.13 -16.7 63.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 -33.73 16.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 93' ' ' LYS . 59.7 mt -46.23 -52.9 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -48.11 -33.56 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.46 -34.43 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' ILE . 22.7 m-85 -86.49 -13.25 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -49.54 -28.52 5.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -124.49 70.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -114.04 142.45 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.468 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.524 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' THR . 2.3 tt0 -143.96 123.15 12.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -79.3 141.0 37.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.7 t -111.97 96.93 36.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.04 9.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 32.7 tp -42.11 101.45 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.97 131.25 14.12 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.9 p -65.69 108.58 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.03 22.76 4.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.6 170.03 8.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.511 1.795 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.54 33.46 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 ttt -71.93 115.83 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -108.37 -26.92 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.6 1.187 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.15 147.24 6.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.87 -179.71 16.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 m -131.0 125.52 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 48.5 mm -64.77 91.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.25 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 152.51 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 42' ' ' ALA . 65.6 m95 -99.23 85.02 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -42.34 -29.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -117.27 151.06 37.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -176.83 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.95 124.14 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.01 -28.27 15.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 134.16 55.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -75.98 136.49 40.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.3 117.28 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.36 143.34 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -40.67 123.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.31 -29.71 10.88 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.5 119.74 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 HD13 ' CA ' ' A' ' 52' ' ' GLY . 50.5 tp -49.8 134.36 20.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.0 mt -98.89 -42.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . -174.6 159.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -105.63 146.97 28.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.222 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.1 t -128.42 136.61 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.57 118.09 30.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -119.74 163.93 16.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -23.16 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.28 -49.13 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 164.33 -174.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.1 m -77.19 111.81 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.49 165.95 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' CA ' HD13 ' A' ' 40' ' ' LEU . . . -121.01 113.34 2.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' CZ ' ' HG3' ' A' ' 13' ' ' PRO . 13.9 t80 -83.62 113.56 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -94.48 168.65 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -89.28 152.9 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -97.37 -24.5 15.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -144.13 -177.19 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.51 118.46 33.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.97 -176.65 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -121.5 148.88 43.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.5 98.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.02 -69.64 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 35.5 tptt -145.58 145.63 31.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 52.4 mt -110.48 76.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.458 HD13 ' CG2' ' A' ' 78' ' ' ILE . 42.6 mt -44.38 -60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.8 t -93.83 120.23 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -175.6 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.66 131.12 34.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.72 -25.31 13.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.145 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.503 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 22.4 m -55.2 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 13.8 mtm-85 -92.48 149.22 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.5 t70 87.23 35.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.1 t -87.75 115.66 63.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.08 164.76 32.58 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 75' ' ' ILE . 2.8 mm -79.86 132.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.07 -14.88 63.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.12 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.6 108.33 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.458 ' CG2' HD13 ' A' ' 65' ' ' LEU . 4.1 mm -39.88 125.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.1 pt -102.43 -27.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 p -168.7 174.97 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 108.227 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.3 mt -126.69 156.29 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLN . 70.4 p -134.71 137.16 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 85' ' ' LYS . 30.5 m -111.01 172.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.55 -21.35 34.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.576 1.173 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.58 155.28 79.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.781 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -12.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.42 -20.95 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.23 3.31 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.9 mt -73.89 -37.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -73.08 -29.61 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.65 68.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.524 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.2 m-85 -101.44 -12.84 18.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -43.79 -28.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 92' ' ' PHE . 3.3 p30 -126.66 74.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -115.91 144.25 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -137.61 126.73 24.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 0.704 . . . . 0.0 110.237 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -78.02 137.35 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.4 t -113.36 95.17 34.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.61 13.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -47.12 104.84 0.43 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.91 30.74 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -64.39 109.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 mt -95.9 13.87 25.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.3 167.64 14.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.058 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.98 -59.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -94.17 32.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.407 ' C ' HD13 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -72.02 130.98 42.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -119.29 -34.53 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.2 148.23 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.56 -171.79 13.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.561 1.163 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -139.94 137.33 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 39.1 mm -73.27 95.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.42 -62.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -157.31 144.85 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.415 ' NE1' HG23 ' A' ' 24' ' ' ILE . 60.4 m95 -88.32 83.61 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.044 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -39.61 -33.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -111.33 174.28 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -132.56 177.21 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.68 129.39 38.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.72 38.19 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.16 169.16 9.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' CE ' ' OE2' ' A' ' 58' ' ' GLU . 1.6 tttm -103.17 136.42 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 7.2 mt -124.27 133.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 4.0 m120 -119.25 136.87 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -38.06 118.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.89 6.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.11 137.05 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.425 HD13 ' CA ' ' A' ' 52' ' ' GLY . 39.7 tp -67.12 117.78 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.5 mt -83.71 -37.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -179.19 164.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -108.3 144.89 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.15 133.46 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -92.75 119.34 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 p -121.53 165.87 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -22.04 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.02 -51.46 8.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.93 -174.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 m -76.9 111.77 12.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.19 164.36 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' CA ' HD13 ' A' ' 40' ' ' LEU . . . -119.26 107.47 1.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -76.38 114.3 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.72 164.88 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -86.21 156.72 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.25 -19.68 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.446 ' OE2' ' CE ' ' A' ' 34' ' ' LYS . 14.8 tt0 -102.12 107.22 18.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p -151.68 -173.28 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.348 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -120.07 152.84 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.18 126.16 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.42 ' CB ' HG12 ' A' ' 83' ' ' VAL . . . -94.57 -62.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -147.16 147.08 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.422 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 55.2 mt -112.87 75.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -45.35 -58.67 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.13 122.09 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.61 -172.22 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.483 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -87.71 132.79 34.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 107.5 -23.82 25.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.1 m -54.82 102.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 28.1 mtm105 -89.3 149.55 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 9.0 t0 84.17 44.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.6 t -90.21 114.27 60.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 156.34 43.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.407 HD13 ' C ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -74.34 140.06 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.79 -13.56 62.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.75 108.74 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.5 mm -40.32 126.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 pt -97.4 -29.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -169.98 174.83 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.512 HG21 ' CE1' ' A' ' 92' ' ' PHE . 1.3 mt -128.62 156.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.421 ' N ' HG22 ' A' ' 81' ' ' ILE . 43.4 p -127.6 153.48 46.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.42 HG12 ' CB ' ' A' ' 62' ' ' ALA . 2.9 m -127.73 -172.19 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.07 -27.38 3.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.88 157.26 72.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.394 0.702 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.16 -23.84 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -81.82 -4.58 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 93' ' ' LYS . 98.6 mt -69.42 -58.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -28.21 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.69 60.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.6 m-85 -104.18 -18.83 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -51.3 -22.44 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -127.76 74.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.239 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.31 138.69 53.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -143.62 121.81 12.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 110.301 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -80.87 136.73 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.28 98.09 38.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.26 7.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.449 HD23 ' CG1' ' A' ' 73' ' ' VAL . 53.4 tp -41.19 100.89 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 132.87 16.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.7 p -67.54 109.13 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.2 25.34 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.5 172.0 6.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -62.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 p -98.11 40.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.428 ' CG ' HD13 ' A' ' 75' ' ' ILE . 5.2 ttt -80.54 118.61 22.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -109.76 -22.89 11.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.0 146.6 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 173.56 19.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -122.59 127.48 49.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 66' ' ' VAL . 13.5 mm -71.65 88.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.83 -64.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? -146.68 170.14 17.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.567 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 37.8 m95 -114.3 80.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.79 -35.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -113.97 167.59 10.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -133.88 179.09 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.48 121.0 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.28 49.73 4.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.98 124.43 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.799 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 2.3 tttm -62.51 137.64 58.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 4.6 mt -124.05 142.4 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.362 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -122.57 134.6 54.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.2 125.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.4 -18.98 56.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.75 126.44 29.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.02 115.9 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mt -80.24 -46.99 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.567 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -165.97 164.35 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -108.44 137.63 46.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.0 t -119.14 130.54 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -91.28 117.18 29.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.1 p -118.47 166.81 12.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.42 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.26 -21.15 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.67 -51.54 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 167.94 -174.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.4 m -77.5 111.71 13.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.39 163.89 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.06 105.19 0.96 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -76.04 111.18 11.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 0.707 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.84 151.59 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -66.67 150.07 49.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -101.3 -18.04 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -144.3 178.66 7.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -101.13 98.62 9.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.218 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 p -146.4 -174.37 4.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 2.1 m-85 -120.87 157.1 30.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.2 tpp -65.78 112.88 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.7 -61.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.2 tptm -144.78 150.99 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 20.7 mt -120.25 91.52 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 78' ' ' ILE . 25.0 mt -61.09 -58.42 8.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.466 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 20.5 t -80.49 122.63 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.49 -160.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.6 136.01 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.83 2.06 69.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.43 ' CG2' HG12 ' A' ' 66' ' ' VAL . 51.6 m -65.11 107.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -98.55 167.02 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.9 t70 81.81 28.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG1' HD23 ' A' ' 12' ' ' LEU . 8.7 t -87.88 113.44 54.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.426 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.0 161.35 38.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.7 mm -75.79 132.23 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.37 -21.23 47.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.11 110.21 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 65' ' ' LEU . 4.3 mm -40.54 129.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.3 pt -99.31 -42.1 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.3 p -158.85 169.12 25.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 82' ' ' THR . 1.4 mt -122.35 154.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' HG21 ' A' ' 81' ' ' ILE . 71.3 p -129.67 146.89 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.37 -174.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.21 -8.26 27.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -149.73 157.57 38.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -26.18 11.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.93 -25.17 63.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.94 -23.59 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.5 mt -60.35 -37.5 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.85 -34.98 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.26 -31.32 62.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 81' ' ' ILE . 2.6 m-85 -88.8 -17.97 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -21.35 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -125.35 70.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -120.32 136.55 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -141.27 121.84 14.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -79.36 137.87 37.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.6 t -110.21 98.9 37.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 14.3 tp -43.65 102.44 0.28 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 131.24 14.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 111.032 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.7 p -65.9 108.69 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -92.18 24.71 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.95 166.66 15.89 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 p -102.77 38.94 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.587 1.179 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.8 ttt -83.25 112.93 20.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -104.56 -25.02 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.05 145.21 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.22 -176.75 14.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 m -133.71 130.11 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 69' ' ' GLY . 41.8 mm -67.75 89.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.08 -63.62 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.52 157.5 39.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.549 ' CE3' ' HB3' ' A' ' 42' ' ' ALA . 63.9 m95 -104.7 78.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.076 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' TRP . 35.9 mmtt -111.61 164.76 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.243 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -129.55 179.54 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.09 126.44 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.1 5.27 76.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.23 132.17 34.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -69.77 135.84 50.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.04 104.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 30.1 m-80 -90.31 132.8 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -38.39 120.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 -42.8 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.3 153.69 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.48 128.62 33.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.3 mt -87.09 -44.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . -174.81 167.82 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.42 160.3 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.6 t -140.3 135.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.349 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.75 125.42 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.9 p -125.96 173.9 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.51 -18.11 26.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -87.04 -57.04 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 174.22 -175.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -79.32 112.27 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.46 164.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.58 109.9 1.84 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -79.95 112.06 16.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 0.71 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 167.53 12.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -90.7 135.7 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.5 mt -109.88 19.68 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -168.64 172.33 8.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.26 127.62 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p 179.83 -173.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -125.47 152.85 44.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.2 tpp -61.47 106.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.21 -63.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -150.16 148.44 28.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.454 HG22 ' CE2' ' A' ' 27' ' ' TRP . 67.5 mt -112.61 75.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.0 mt -44.34 -60.21 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.442 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.2 t -93.81 116.11 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.56 -176.32 5.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -82.69 131.55 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.25 -28.01 10.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 52.2 m -53.42 101.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 0.719 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 22.5 mtp180 -90.97 151.22 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 84.82 38.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.7 t -90.37 114.08 59.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.501 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.67 32.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.418 HD11 ' N ' ' A' ' 75' ' ' ILE . 2.5 mm -80.39 130.39 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.45 -18.66 53.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.05 109.09 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.2 mm -40.04 128.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.414 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 38.1 pt -102.74 -32.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.9 p -162.0 173.32 14.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 82' ' ' THR . 1.3 mt -126.11 156.32 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.406 ' N ' HG21 ' A' ' 81' ' ' ILE . 6.4 p -129.79 144.49 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.444 ' CG1' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -120.53 -172.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.07 -12.37 27.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.5 157.48 33.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -29.17 8.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.08 -21.82 47.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.61 -35.42 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 95.3 mt -41.06 -53.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -45.93 -50.29 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 22.8 m-85 -81.61 -9.51 59.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -32.17 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -118.58 71.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -116.08 148.59 40.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.0 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.1 tt0 -144.04 124.18 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -80.28 135.93 36.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.93 98.09 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.88 124.18 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 51.2 tp -40.07 100.16 0.21 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -75.04 131.7 14.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.8 p -65.49 107.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -91.39 22.38 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.27 171.34 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -63.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 p -93.69 34.44 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.5 ttt -72.7 112.25 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.76 -24.41 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.51 151.11 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.74 -175.21 13.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 m -136.0 130.51 33.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 37.8 mm -68.87 89.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.59 -64.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.65 157.51 43.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.497 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 50.3 m95 -105.56 80.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' TRP . 18.8 tp10 -37.92 -36.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 34' ' ' LYS . 27.8 mmtt -112.03 162.84 14.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -128.38 175.05 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.94 130.8 44.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.48 27.22 57.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.92 143.23 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 1.5 tttm -78.02 136.3 37.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.1 mt -124.17 140.64 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -126.98 137.58 53.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.05 121.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -43.49 1.66 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -50.71 123.61 9.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' CA ' ' A' ' 52' ' ' GLY . 60.8 tp -53.76 137.85 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.415 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 35.8 mt -102.35 -42.42 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -171.65 160.97 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -105.81 155.8 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.72 128.89 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.01 115.72 26.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 48' ' ' LYS . 26.3 p -118.62 160.48 21.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.56 -25.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 1.5 mttt -78.01 -52.39 8.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.366 1.041 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 168.0 -174.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.8 m -76.77 112.93 13.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.56 164.95 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.467 ' CA ' HD12 ' A' ' 40' ' ' LEU . . . -126.88 105.97 0.8 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.585 1.178 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -74.31 119.48 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 0.731 . . . . 0.0 111.051 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.88 162.18 14.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.415 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 12.6 t -76.26 145.06 39.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.21 -30.33 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -174.06 178.03 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -57.17 142.47 42.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.4 p 170.39 -174.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.414 ' CB ' HD13 ' A' ' 89' ' ' ILE . 3.9 m-85 -139.61 152.52 46.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.9 tpp -65.08 121.15 14.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.91 -62.53 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -147.61 148.07 30.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 52.4 mt -113.91 76.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 78' ' ' ILE . 57.3 mt -47.46 -58.22 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.43 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 2.6 t -96.63 123.58 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.09 179.73 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.61 129.71 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 110.356 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 113.17 -29.59 7.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 71.6 m -51.32 102.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 44.4 mtp180 -91.83 151.31 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER 85.44 34.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 70' ' ' THR . 5.9 t -84.17 114.9 57.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.491 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.06 36.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.7 mm -79.63 130.84 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.28 -17.03 57.5 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.68 109.15 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.464 ' CG2' HD13 ' A' ' 65' ' ' LEU . 4.0 mm -40.3 126.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.0 pt -97.62 -33.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.0 p -166.18 174.71 8.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 82' ' ' THR . 1.3 mt -127.21 156.74 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 58.9 p -132.87 160.91 35.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.4 m -131.11 -171.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.65 -14.58 17.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -142.71 158.53 59.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.576 0.81 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -76.93 -45.57 27.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.99 -21.1 65.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' LYS . 16.8 mt -58.6 -49.98 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.63 -33.95 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.61 -17.35 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.0 m-85 -104.9 -14.21 15.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -54.37 -22.2 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -127.39 73.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -121.15 146.37 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -143.5 122.2 12.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -80.47 137.21 36.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.7 t -110.6 98.91 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.94 123.82 8.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 24.4 tp -40.22 100.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.51 12.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.579 1.831 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -63.27 108.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -92.06 23.68 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.03 169.48 10.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -61.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.6 p -91.79 31.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 ttt -71.21 111.79 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.3 -25.68 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -166.15 151.11 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.13 -175.19 13.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -135.71 131.79 36.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 0.767 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.491 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 50.8 mm -69.53 90.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.83 -63.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -156.9 159.09 37.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 42' ' ' ALA . 74.8 m95 -105.08 84.7 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HG3' ' CD2' ' A' ' 40' ' ' LEU . 1.3 mm-40 -39.35 -32.99 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -114.45 167.29 10.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.54 -178.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -72.17 126.61 30.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.56 -17.38 58.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.87 146.77 54.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttt -81.59 138.16 35.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.428 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 40.5 mt -123.3 120.92 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -108.46 141.47 40.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.27 124.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.94 -41.49 2.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.38 127.41 15.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 0.794 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 28' ' ' GLU . 14.6 tp -58.04 134.16 56.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.6 mt -100.46 -35.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . -177.56 169.31 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -116.62 143.06 46.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.67 134.55 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -95.56 113.66 25.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.5 p -116.43 162.41 17.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -26.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 16.6 tttt -76.53 -51.02 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 165.71 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.5 m -76.83 113.63 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.26 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.85 114.35 2.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.418 ' N ' HD12 ' A' ' 40' ' ' LEU . 4.1 t80 -80.92 117.37 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.05 153.32 19.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.258 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 t -66.22 158.04 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.085 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -97.9 -20.6 17.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -179.97 175.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.7 135.72 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.6 p 179.9 -170.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CE2' ' HA ' ' A' ' 85' ' ' LYS . 4.5 m-85 -134.58 147.79 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.53 102.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.37 -68.84 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -147.97 150.6 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 27' ' ' TRP . 67.3 mt -115.01 75.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.193 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.472 HD12 ' CG2' ' A' ' 78' ' ' ILE . 48.6 mt -44.96 -59.83 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.3 t -91.99 119.81 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.23 -177.29 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 4.0 pm0 -83.63 133.77 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.88 -22.8 27.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 17.8 m -53.55 102.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 94.7 mtt180 -91.98 149.56 21.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 t0 82.26 40.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.6 t -89.44 116.82 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.466 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.7 Cg_endo -74.95 161.63 38.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 21' ' ' ALA . 3.1 mm -77.62 134.94 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.31 -20.69 49.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.04 109.22 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.472 ' CG2' HD12 ' A' ' 65' ' ' LEU . 4.7 mm -40.45 126.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.9 pt -99.71 -29.02 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 30.9 p -168.97 173.79 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.246 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.29 156.47 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 p -128.35 153.05 47.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -131.78 176.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.94 -1.56 48.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.472 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 14.2 pttm -160.91 157.63 23.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -31.29 6.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.11 -25.39 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.29 -37.78 16.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 93' ' ' LYS . 95.8 mt -42.63 -51.97 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.22 72.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.6 m-85 -86.5 -8.47 57.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -58.69 -36.32 74.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -113.01 70.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.4 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -115.74 143.25 45.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.4 tt0 -142.69 122.19 13.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -79.88 138.57 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.8 t -112.4 96.35 35.44 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 57.7 tp -42.86 102.06 0.26 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CG ' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.06 132.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.1 p -66.68 108.79 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.87 23.67 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.29 166.47 16.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -55.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.3 p -95.8 32.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.9 ttt -78.14 110.46 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -102.45 -25.3 13.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.61 149.39 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -179.56 16.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -134.83 123.66 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.348 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.54 103.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.53 -60.69 2.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.32 155.21 41.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.457 ' NE1' ' O ' ' A' ' 66' ' ' VAL . 10.7 m95 -97.25 78.22 2.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -33.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -120.79 159.99 24.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -127.97 174.64 9.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.49 125.21 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.0 42.48 8.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.1 tttm -69.27 137.34 53.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.9 mt -124.39 147.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.25 134.16 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.89 121.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.74 -40.91 2.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.89 138.08 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' CA ' ' A' ' 52' ' ' GLY . 61.9 tp -62.99 136.94 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 15.3 mt -103.93 -39.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -172.33 153.67 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' CG ' HD22 ' A' ' 40' ' ' LEU . 6.2 mt-10 -105.07 141.56 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.9 t -124.07 145.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.78 117.86 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.6 p -114.42 169.02 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.63 -18.52 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.98 -49.8 7.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 167.26 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -77.12 113.9 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.512 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.92 165.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.472 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -122.21 110.49 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.542 ' CE1' ' CG ' ' A' ' 13' ' ' PRO . 25.5 t80 -80.47 115.72 20.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -92.03 161.4 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.4 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 38.6 t -71.91 150.15 44.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.97 -14.04 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.397 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -176.65 168.16 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.03 129.85 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.406 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -176.1 176.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 108.355 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -121.82 147.54 45.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -61.39 117.62 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.11 -54.25 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 9.3 tptt -154.33 149.48 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 66' ' ' VAL . 72.8 mt -116.45 84.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 78' ' ' ILE . 41.0 mt -51.58 -57.47 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 12.3 t -83.83 132.55 31.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.41 -157.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -100.34 134.25 43.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 -0.28 84.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 39.5 m -56.28 102.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 8.6 mtm180 -93.3 148.14 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t0 83.96 40.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.3 t -91.48 114.11 60.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.481 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.97 34.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 75' ' ' ILE . 2.9 mm -79.75 131.72 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.04 62.85 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.38 109.51 4.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.462 ' CG2' HD13 ' A' ' 65' ' ' LEU . 3.8 mm -41.4 128.19 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 39.8 pt -101.03 -30.62 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.8 p -170.2 172.67 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 108.31 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.461 HG21 ' CE1' ' A' ' 92' ' ' PHE . 1.3 mt -124.1 155.32 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.421 ' N ' HG22 ' A' ' 81' ' ' ILE . 77.1 p -131.6 150.95 51.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.26 -171.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.87 -25.14 5.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 153.94 78.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.6 20.68 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.92 -36.05 64.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -70.83 -18.33 62.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' LYS . 43.4 mt -64.65 -53.63 39.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.59 -31.11 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.94 -33.02 63.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.5 m-85 -87.52 -19.71 27.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -46.25 -30.47 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -119.9 71.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -118.34 156.82 28.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -127.57 124.12 37.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -75.44 140.37 42.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -111.19 98.02 37.67 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.4 8.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD23 ' CG1' ' A' ' 73' ' ' VAL . 42.5 tp -42.64 101.76 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.572 1.827 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.3 p -64.72 107.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 mt -91.83 22.42 4.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.34 171.0 7.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -63.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 p -93.06 35.0 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.4 ttt -74.86 112.87 11.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.39 -22.02 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' N ' HD11 ' A' ' 75' ' ' ILE . . . -166.43 152.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.77 -177.11 14.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -132.72 131.84 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.359 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.491 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 31.1 mm -68.94 86.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.65 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.66 157.38 35.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 71.6 m95 -102.62 81.6 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 3.2 tp10 -38.19 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.155 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' TRP . 18.8 mmtt -114.12 173.77 6.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -135.17 178.57 6.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.24 130.48 43.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.7 24.05 63.29 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.83 129.63 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.418 0.716 . . . . 0.0 109.395 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -64.65 133.8 52.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.9 mt -123.94 104.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -87.8 145.85 25.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.087 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 121.78 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.3 -31.27 8.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -56.59 126.29 26.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.362 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.17 126.39 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.401 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.9 mt -90.97 -44.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 109.214 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -173.67 164.22 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.43 140.95 44.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -120.44 138.12 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -98.2 112.09 24.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.9 p -114.07 165.33 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -50.07 -24.3 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 7.7 tttp -79.18 -54.28 6.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 169.84 -175.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.6 m -77.27 108.96 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.02 160.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.87 113.15 2.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.17 113.33 19.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.27 154.16 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.2 t -78.86 135.35 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -109.51 21.38 17.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.7 169.68 14.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.28 109.27 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -163.0 -173.19 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.326 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -124.24 157.03 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 54.2 tpp -65.29 110.57 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.432 ' CB ' HG12 ' A' ' 83' ' ' VAL . . . -75.8 -58.99 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -153.3 148.73 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 42.1 mt -112.08 78.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 78' ' ' ILE . 39.9 mt -46.31 -59.81 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 t -95.29 121.52 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.82 -173.23 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -88.5 132.91 34.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.33 -20.63 30.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 82.3 m -59.42 104.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 2.7 mtt-85 -93.19 155.03 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER 84.38 30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 70' ' ' THR . 5.5 t -82.54 114.38 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 163.34 35.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.42 ' N ' HD13 ' A' ' 75' ' ' ILE . 2.6 mm -79.92 130.98 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.97 -16.39 58.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.29 115.15 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.349 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 65' ' ' LEU . 3.4 mm -47.2 124.61 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.8 pt -97.86 -37.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.24 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.9 p -158.58 171.9 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.305 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 mt -123.68 156.83 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 62.3 p -131.51 150.36 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.431 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.432 HG12 ' CB ' ' A' ' 62' ' ' ALA . 22.3 m -126.96 -168.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.67 -12.64 14.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.411 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -145.76 153.1 50.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.25 21.54 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -75.49 -38.73 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -72.13 -16.52 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' PHE . 18.4 mt -65.09 -51.17 69.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -46.18 -41.95 13.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.54 80.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.9 m-85 -81.23 -20.32 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ILE . 1.6 tttm -43.92 -36.97 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.208 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -116.58 68.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -112.2 139.6 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -133.91 124.3 26.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 0.793 . . . . 0.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -81.71 140.8 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -112.09 96.81 36.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.417 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.1 Cg_endo -74.95 122.44 7.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 28.0 tp -40.62 100.5 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 131.37 14.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.7 p -64.27 108.26 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.049 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.46 23.76 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.2 170.9 7.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -96.65 37.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.2 ttt -77.36 109.92 11.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -25.31 13.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.27 149.23 7.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -133.81 -171.62 12.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -138.76 131.86 29.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.488 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 48.5 mm -68.76 92.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.88 -63.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -150.57 162.29 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.549 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 42.7 m95 -110.17 81.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.047 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -42.82 -28.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -117.57 154.33 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.47 175.62 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.59 129.27 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.62 29.86 38.12 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.38 1.05 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.34 140.75 46.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.45 134.11 37.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.376 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.2 mt -122.27 138.21 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.05 142.61 47.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.6 119.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.4 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 101.28 -43.01 1.8 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.56 121.36 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.3 tp -50.55 134.73 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.2 mt -103.74 -38.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.611 1.194 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 163.03 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -107.9 164.89 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -143.51 135.62 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.91 118.81 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 p -120.13 169.36 10.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -19.45 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -86.07 -50.35 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -77.1 114.4 15.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.69 166.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.62 112.12 1.9 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.4 116.57 21.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 0.804 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 29.1 mt-10 -92.66 167.21 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -81.95 154.03 25.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.1 -24.35 16.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.42 -173.23 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -89.14 133.15 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.3 p 179.35 -171.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -127.62 159.93 33.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 tpp -68.65 111.07 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' HB1' ' CA ' ' A' ' 82' ' ' THR . . . -75.22 -58.4 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' ILE . 52.0 tptt -155.82 144.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 54.3 mt -109.91 76.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.458 HD13 ' CG2' ' A' ' 78' ' ' ILE . 54.3 mt -46.43 -59.2 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.1 t -94.44 120.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.5 -174.89 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.28 132.23 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 108.21 -22.67 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.492 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 54.5 m -54.92 102.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 0.797 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.427 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 76.1 mtm180 -88.65 155.02 19.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER 77.47 44.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 70' ' ' THR . 11.5 t -91.89 114.35 61.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.493 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 75' ' ' ILE . 2.4 mm -79.96 130.42 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.06 -16.01 58.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.74 107.84 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.458 ' CG2' HD13 ' A' ' 65' ' ' LEU . 4.5 mm -40.81 122.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.5 pt -94.19 -35.47 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 p -161.07 176.32 11.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.265 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.4 mt -130.0 155.06 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.4 ' CA ' ' HB1' ' A' ' 62' ' ' ALA . 2.2 p -127.74 158.54 37.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.32 -173.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.19 -17.53 13.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.11 158.08 45.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -21.77 15.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.64 -25.23 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.28 -33.92 19.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 93' ' ' LYS . 61.3 mt -44.13 -48.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.59 -46.11 66.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.15 75.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 16.6 m-85 -86.22 -6.96 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.8 tttt -64.97 -12.69 52.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -136.08 71.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -120.65 120.2 35.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.432 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -120.21 128.35 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -82.4 138.19 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.6 t -110.63 98.94 39.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 126.15 9.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 56.3 tp -43.11 102.16 0.27 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.02 132.62 15.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.8 p -66.4 108.85 2.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.13 24.34 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.4 168.84 11.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.596 1.185 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -58.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 p -96.41 35.77 1.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 ttt -77.69 115.66 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -108.44 -23.3 11.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.22 150.16 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.4 -179.31 16.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 m -131.49 130.53 42.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 37.2 mm -69.72 89.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.391 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.03 -64.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.11 153.79 32.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 110.219 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.574 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 68.3 m95 -99.12 79.9 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 108.052 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' TRP . 38.4 tp10 -38.31 -32.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 39.0 mmtt -109.98 167.19 10.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.232 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -130.73 176.17 8.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.14 137.23 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.55 40.67 90.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.84 121.04 35.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 0.788 . . . . 0.0 109.368 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 5.0 tttt -58.14 137.66 56.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.42 ' CG2' ' OD1' ' A' ' 39' ' ' ASP . 8.1 mt -124.14 136.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -113.52 131.72 55.96 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 121.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 -34.3 5.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.42 ' OD1' ' CG2' ' A' ' 35' ' ' ILE . 0.9 OUTLIER -49.95 162.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.7 tp -90.93 114.16 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -76.67 -46.33 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -175.27 165.37 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -106.79 154.48 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.5 t -135.68 134.31 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.76 119.93 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 48' ' ' LYS . 54.1 p -121.54 165.48 15.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -77.57 -70.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.81 -174.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.7 m -76.66 113.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.443 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.08 165.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.91 106.67 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.457 ' CZ ' ' HG3' ' A' ' 13' ' ' PRO . 9.9 t80 -76.79 114.76 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.07 163.05 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 10.0 t -75.66 160.45 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.0 -18.64 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 55' ' ' SER . 5.9 pt-20 -162.57 171.16 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -82.67 112.85 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.7 p -156.22 -174.33 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -123.46 148.78 45.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 54.6 tpp -61.58 114.68 3.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.077 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.45 -63.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' ILE . 10.9 tptt -149.51 146.65 27.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.455 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 29.1 mt -110.09 79.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 78' ' ' ILE . 37.4 mt -47.91 -59.47 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.8 t -94.83 122.32 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.27 -174.49 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.495 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -85.73 131.56 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.46 -22.3 26.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.422 1.076 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 99.8 m -57.56 103.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 85.8 mtm-85 -94.42 151.66 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 87.27 31.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.2 t -84.41 115.35 60.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.443 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.15 33.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.441 1.758 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 75' ' ' ILE . 3.4 mm -78.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.84 -20.11 50.51 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.426 1.078 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.04 110.16 2.83 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.46 ' CG2' HD11 ' A' ' 65' ' ' LEU . 4.3 mm -40.09 130.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.5 pt -102.17 -33.05 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -165.52 174.34 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.2 mt -127.71 155.7 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 81' ' ' ILE . 32.8 p -130.36 156.03 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.8 m -133.81 -172.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.4 1.063 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.42 -9.55 19.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.58 1.175 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.87 154.79 44.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.61 16.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.79 -33.36 73.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -78.41 -36.36 45.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 93' ' ' LYS . 49.2 mt -44.59 -53.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.07 -33.95 65.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.247 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.11 -19.48 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.432 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.0 m-85 -102.55 -12.27 17.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.89 -20.55 23.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -125.98 68.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -121.23 149.82 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -135.44 122.76 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -78.16 141.9 38.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -112.71 96.08 35.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.9 122.93 7.56 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 44.8 tp -40.01 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.0 131.62 14.5 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.76 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.4 p -65.63 108.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' CD1' HG21 ' A' ' 51' ' ' VAL . 13.7 mt -92.24 23.69 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.51 170.84 7.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -63.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -93.27 35.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ttt -73.34 115.31 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -108.24 -24.3 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -165.59 157.02 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.89 -178.71 17.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 m -134.8 123.07 22.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.39 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 39.4 mm -63.43 93.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -63.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.69 148.86 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.561 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 82.4 m95 -95.48 89.36 5.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -39.0 -44.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' TRP . 41.6 mmtt -96.82 179.32 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 61' ' ' MET . 7.7 mmtt -135.12 -175.96 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 5.8 mt-10 -74.84 125.78 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.447 ' HA2' ' CD1' ' A' ' 89' ' ' ILE . . . 84.06 12.12 77.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.78 135.03 34.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.4 tttm -68.7 137.79 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 50.4 mt -122.76 133.53 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.81 139.33 50.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.06 117.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.58 -44.37 1.52 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.419 1.075 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -44.27 134.63 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.68 121.89 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 62.8 mt -81.25 -46.94 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.561 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -175.61 156.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.45 141.96 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 56.1 t -125.64 137.43 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.66 117.96 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.2 p -108.63 178.78 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -8.11 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -98.47 -49.5 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 172.38 -174.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.1 m -76.48 119.99 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 44' ' ' VAL . 1.6 m -100.98 165.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.76 116.03 2.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -85.09 113.69 21.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.69 152.85 18.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 32.9 t -71.96 150.43 44.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -98.49 -21.54 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -155.31 168.21 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -83.27 108.33 16.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.9 p -146.28 -175.12 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -118.95 147.42 44.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -62.82 99.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.91 -69.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 12.5 tptt -146.94 147.35 30.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 62.9 mt -111.61 75.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 78' ' ' ILE . 41.9 mt -43.81 -60.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.415 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 4.1 t -91.17 118.48 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.84 -175.3 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -86.0 127.11 34.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 116.14 -25.15 9.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 37.7 m -53.17 103.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 0.795 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 11.7 mtt180 -93.45 147.15 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 t70 86.51 36.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.1 t -86.43 116.14 64.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.481 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 161.26 39.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.574 1.829 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.415 ' N ' HD11 ' A' ' 75' ' ' ILE . 3.5 mm -75.6 136.04 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.67 -20.35 47.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 110.92 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 65' ' ' LEU . 4.4 mm -40.88 127.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.2 pt -102.4 -29.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.426 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 24.8 p -169.2 172.54 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.278 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mt -122.22 155.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.5 p -128.04 142.21 51.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 m -124.54 -173.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.84 -15.44 7.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -140.23 155.46 70.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.75 15.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.91 -21.98 66.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 -23.31 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.447 ' CD1' ' HA2' ' A' ' 32' ' ' GLY . 35.8 mt -60.31 -40.09 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.15 -33.54 74.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.05 -23.11 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.7 m-85 -96.54 -22.78 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.59 76.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -117.39 153.52 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.524 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.25 121.29 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -80.57 138.63 36.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -111.22 98.47 39.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.97 9.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 53.7 tp -40.93 100.72 0.23 Allowed Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.36 14.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.2 p -65.24 108.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -92.35 24.32 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.14 170.0 9.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -60.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.9 p -96.13 36.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.4 ttt -75.12 117.44 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -108.37 -27.21 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.95 147.56 6.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.79 178.91 17.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -128.37 128.04 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.386 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.412 HG21 ' NE1' ' A' ' 27' ' ' TRP . 41.6 mm -67.64 90.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.04 167.48 29.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.545 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 77.2 m95 -114.28 88.74 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 108.071 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.28 -32.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -118.23 154.43 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -112.09 -172.46 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 52.8 mt-10 -78.48 120.46 23.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 89' ' ' ILE . . . 94.93 3.89 61.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.66 130.89 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.1 tttt -65.84 138.26 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.216 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 11.7 mt -123.62 132.04 72.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.44 133.29 54.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.88 122.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.17 -43.17 1.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -47.42 152.24 0.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 HD12 ' CA ' ' A' ' 52' ' ' GLY . 41.0 tp -79.14 136.85 37.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.12 -44.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -167.59 161.85 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -109.4 148.76 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.6 130.68 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.97 115.85 27.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 48' ' ' LYS . 35.4 p -117.69 158.66 24.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.12 -25.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -77.83 -48.03 17.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 163.6 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -76.76 114.84 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.89 166.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' CA ' HD12 ' A' ' 40' ' ' LEU . . . -124.28 113.22 1.97 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -81.63 112.15 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.86 166.15 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -82.37 156.03 24.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.15 -20.27 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -154.01 161.02 42.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.17 124.35 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.3 p -171.83 -174.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 108.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 1.9 m-85 -124.56 155.94 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.5 tpp -69.49 120.39 15.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.52 -52.95 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 14.7 tptt -157.79 144.86 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 48.2 mt -110.26 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 78' ' ' ILE . 55.1 mt -43.41 -60.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.94 118.31 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.1 -179.07 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.25 139.21 38.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.35 -19.87 50.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.416 1.072 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 47.9 m -61.15 102.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 82.6 mtt180 -93.94 153.53 18.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 m-20 85.54 31.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.8 t -85.99 114.6 57.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.493 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 163.77 34.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.595 1.84 . . . . 0.0 111.052 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 75' ' ' ILE . 2.9 mm -77.82 131.42 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.63 -23.82 34.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.4 110.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 65' ' ' LEU . 4.9 mm -40.3 129.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.1 pt -101.35 -32.45 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.0 p -167.53 175.69 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.2 mt -125.88 155.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 81' ' ' ILE . 62.3 p -130.67 147.77 52.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.32 -172.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.46 13.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -147.57 157.37 44.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -26.21 11.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.41 -28.69 45.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.55 -28.85 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.439 ' CD1' ' HA2' ' A' ' 32' ' ' GLY . 51.4 mt -53.66 -41.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.73 -34.77 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.38 -31.3 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.524 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 9.0 m-85 -88.56 -22.75 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -49.97 -24.47 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -126.22 70.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -120.42 144.32 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.7 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 p -170.67 106.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.67 93.44 7.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.949 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.86 -89.0 2.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -93.57 138.44 31.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.583 0.814 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -127.6 90.37 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -126.2 -171.8 13.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.8 tt0 -139.68 124.19 18.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 0.777 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -83.43 139.54 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -111.32 97.76 37.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.01 122.52 7.25 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 43.0 tp -39.99 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.1 Cg_endo -75.11 131.57 14.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.6 p -63.96 107.25 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.979 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.66 22.86 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.18 171.99 6.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 p -93.3 35.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.475 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 ttt -73.5 111.97 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -104.91 -25.68 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.3 147.64 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -130.52 -175.03 13.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -135.79 128.16 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 50.1 mm -66.38 92.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.16 -63.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.58 154.03 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 42' ' ' ALA . 81.6 m95 -99.55 82.32 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' TRP . 4.2 mm-40 -38.81 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 21.3 mmtt -114.26 161.06 18.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.22 179.82 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -69.82 130.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.16 -9.74 73.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.72 131.74 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -71.49 135.08 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -119.25 140.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.76 144.43 50.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.03 123.66 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.36 -41.91 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -47.37 132.82 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD11 ' CA ' ' A' ' 52' ' ' GLY . 17.0 tp -63.66 126.67 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 53.2 mt -93.37 -37.48 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.566 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . -177.02 166.93 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.369 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -111.62 144.18 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.24 136.0 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -96.65 116.64 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.441 ' C ' ' N ' ' A' ' 48' ' ' LYS . 48.9 p -122.44 156.09 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -73.99 -53.32 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 167.32 -174.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 m -78.68 108.28 11.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.43 165.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -120.22 124.04 5.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -90.54 115.08 27.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.15 154.18 18.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 33.5 t -71.08 158.74 35.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -176.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -74.02 143.99 45.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 p 169.99 -174.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.36 151.34 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.5 tpp -63.3 109.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.18 -67.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' ILE . 4.4 tptt -148.31 146.7 28.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 54.2 mt -110.95 75.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 78' ' ' ILE . 47.4 mt -45.49 -59.86 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.416 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.3 t -93.23 121.41 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.24 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.477 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -86.73 130.43 34.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.19 -23.86 17.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 88.5 m -54.29 102.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.561 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 61.9 mtm180 -92.44 149.27 21.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 12.6 t0 86.52 35.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 70' ' ' THR . 5.2 t -87.01 115.56 63.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.2 Cg_endo -74.96 164.99 32.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 75' ' ' ILE . 3.1 mm -79.89 132.25 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.88 -19.37 54.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.6 108.54 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.467 ' CG2' HD12 ' A' ' 65' ' ' LEU . 5.2 mm -39.9 123.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.9 pt -96.78 -31.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 14.0 p -165.5 177.48 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.3 mt -129.82 154.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 8' ' ' GLN . 23.4 p -130.66 152.67 49.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.58 -173.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.38 -9.86 28.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.66 154.98 32.26 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.5 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -16.24 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 -33.65 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 93' ' ' LYS . 97.6 mt -44.41 -55.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -51.07 7.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.23 73.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.7 m-85 -84.01 -9.2 58.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 89' ' ' ILE . 13.6 tttt -59.53 -30.61 68.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -119.18 70.89 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -117.66 144.96 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 p -147.09 137.39 23.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.137 . . . . 0.0 110.428 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.08 105.34 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.13 96.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -61.05 94.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.073 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 87.4 p -177.35 109.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.33 159.67 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.14 -62.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.3 m -162.36 93.21 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.975 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.93 -160.59 13.11 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.99 5.47 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.7 p -117.29 -58.52 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.6 t 49.59 93.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.973 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 39.83 81.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 p -143.71 89.26 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.952 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.97 156.26 9.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -56.22 -51.73 67.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.74 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.53 -172.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.2 -175.25 14.01 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.434 1.084 . . . . 0.0 111.043 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 82' ' ' THR . 2.1 tt0 -143.22 122.0 12.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -79.16 136.93 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.8 97.81 39.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 131.1 14.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.4 tp -46.26 104.28 0.39 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.194 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -64.75 110.12 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.0 mt -96.84 13.48 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.36 169.99 9.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.0 p -92.19 32.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.414 ' C ' HD12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -68.24 131.22 44.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -118.91 -35.21 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.15 147.77 11.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.83 -173.56 13.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 m -136.76 137.96 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 31.9 mm -73.51 87.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -151.24 154.18 36.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.543 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 48.2 m95 -100.73 80.52 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -37.6 -36.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -110.63 171.13 7.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -134.66 177.46 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.45 132.11 47.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.05 34.62 41.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -113.44 158.93 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -95.33 134.67 37.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CG2' ' OD1' ' A' ' 39' ' ' ASP . 11.5 mt -123.64 131.88 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 74.5 m-20 -113.63 133.75 55.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -38.62 120.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.03 -34.26 5.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' OD1' ' CG2' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -50.61 161.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 tp -93.21 113.6 25.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.0 mt -73.77 -50.27 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.543 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.47 169.62 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.41 158.44 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.42 134.64 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -96.4 121.94 38.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -125.03 168.45 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 -23.68 2.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -80.91 -59.54 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 173.95 -174.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.3 m -77.35 116.57 18.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.48 166.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.7 114.99 2.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -84.04 115.18 22.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.976 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -94.41 162.67 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.236 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -81.66 153.21 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.62 -25.57 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -144.59 173.15 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.71 122.94 33.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.3 p -170.15 -171.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -123.39 162.22 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -70.93 118.69 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.417 ' CB ' HG13 ' A' ' 83' ' ' VAL . . . -83.8 -63.46 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -149.05 148.68 29.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 49.0 mt -113.11 76.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 78' ' ' ILE . 39.2 mt -44.98 -59.99 2.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.6 t -94.16 121.39 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.41 -177.05 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.486 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.07 129.71 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 112.77 -26.13 11.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.463 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 82.0 m -54.05 102.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 99.6 mtt180 -90.09 150.01 22.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.4 t0 83.71 40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 70' ' ' THR . 13.5 t -85.89 114.46 57.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.04 43.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -75.02 136.63 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.195 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.7 -16.29 61.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.573 1.171 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.41 108.03 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 65' ' ' LEU . 4.1 mm -40.3 123.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.3 pt -96.45 -29.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.5 p -166.87 176.1 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 108.267 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 82' ' ' THR . 1.4 mt -129.84 155.31 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 7.1 p -128.68 160.26 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.417 HG13 ' CB ' ' A' ' 62' ' ' ALA . 26.9 m -133.54 -170.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.07 -18.35 9.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -143.78 157.91 57.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -13.04 21.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.35 -9.4 59.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 70.2 mt -69.8 -53.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.5 -33.64 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.05 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 95' ' ' TYR . 2.2 m-85 -92.82 -7.05 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.38 -21.11 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -126.19 60.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.454 ' CD2' ' CE1' ' A' ' 92' ' ' PHE . 18.3 t80 -101.97 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -138.02 166.9 22.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' A' ' 65' ' ' LEU . 4.9 mp -91.2 121.08 32.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -117.23 127.73 54.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 t -63.93 -62.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.967 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -62.46 105.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.86 123.76 2.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.81 -60.45 3.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 t -165.89 -58.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 60.49 162.51 0.13 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.95 38.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.7 m -127.17 82.56 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.0 m -86.2 -58.57 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.98 155.12 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -96.29 167.1 11.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.041 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.09 178.17 4.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.96 -50.19 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 0.0 110.015 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -167.55 68.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -126.78 -177.09 14.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.9 OUTLIER -140.12 123.11 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -80.59 138.65 36.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -113.08 95.5 34.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.3 10.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.2 tp -43.03 102.34 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.13 26.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.574 1.828 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 p -62.78 107.97 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.37 6.67 47.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.211 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.89 165.18 18.16 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -54.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.584 1.834 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -97.15 36.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.42 ' C ' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -77.36 134.34 38.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.19 -37.39 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.0 149.42 14.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.68 -173.3 13.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 m -139.36 137.36 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.36 91.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -63.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 150.15 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 66' ' ' VAL . 20.0 m95 -95.34 76.27 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -39.88 -29.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 27' ' ' TRP . 31.4 mmtt -125.27 128.0 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.69 -177.34 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 62' ' ' ALA . 9.1 mt-10 -69.75 136.06 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.89 6.34 89.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 126.66 37.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 137.08 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.378 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mt -122.23 127.11 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -107.03 138.61 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.82 119.22 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.52 -44.64 1.43 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -44.72 140.36 2.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.24 130.16 42.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mt -93.77 -45.56 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.79 166.95 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -112.72 136.48 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.2 t -117.17 133.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.54 118.92 31.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -117.05 170.31 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.33 -17.2 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 1.2 mmtt -86.95 -48.9 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.46 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -76.96 110.26 11.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.19 163.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.28 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.69 120.98 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 0.799 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.8 169.24 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -87.44 153.85 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -157.74 170.03 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -74.97 143.64 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p 168.5 -173.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -125.36 151.41 46.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.5 tpp -61.38 111.04 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' O ' ' OE2' ' A' ' 31' ' ' GLU . . . -75.23 -65.63 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -144.82 150.53 37.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.417 HG22 ' CE2' ' A' ' 27' ' ' TRP . 71.9 mt -117.29 79.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 78' ' ' ILE . 51.7 mt -47.38 -57.09 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.473 HG11 ' CG2' ' A' ' 70' ' ' THR . 6.5 t -86.15 119.8 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.66 -162.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.55 138.61 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' THR . . . 93.11 -30.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.473 ' CG2' HG11 ' A' ' 66' ' ' VAL . 77.3 m -36.37 104.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.438 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 16.3 mtp180 -94.75 153.28 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 m-20 78.24 50.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.2 t -92.78 113.46 59.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 156.25 42.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.433 1.754 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.42 HD13 ' C ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -73.09 141.07 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.87 -10.15 66.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 107.17 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 65' ' ' LEU . 3.6 mm -40.35 120.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 49.1 pt -92.79 -31.17 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.4 p -166.62 174.71 8.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 82' ' ' THR . 1.3 mt -128.27 156.51 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.9 p -129.06 159.21 36.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG23 ' CG1' ' A' ' 89' ' ' ILE . 2.0 m -135.7 -176.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.13 -10.46 39.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' OD2' ' A' ' 88' ' ' ASP . 1.6 ptpm? -150.47 157.54 36.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.342 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -36.94 2.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.24 -22.84 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' OD2' ' CG ' ' A' ' 85' ' ' LYS . 0.9 OUTLIER -84.38 -31.29 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' PHE . 53.2 mt -52.94 -52.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -46.81 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.03 82.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.4 m-85 -80.67 -8.43 59.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -13.11 57.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -132.88 52.96 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.61 158.27 16.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.6 p -151.29 150.9 31.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' CD1' HD11 ' A' ' 65' ' ' LEU . 8.4 mp -89.05 107.12 18.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.75 114.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.0 p -171.41 157.3 4.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.062 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.4 t -124.51 83.92 2.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.12 152.73 44.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.0 102.54 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -115.3 90.1 3.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.01 -161.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 151.8 40.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.9 t 55.95 92.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.76 163.45 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.079 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -62.51 92.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.949 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 t -61.42 -56.05 24.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.12 -98.76 2.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -60.54 -58.46 8.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.434 0.726 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.4 123.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.963 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -141.09 -165.44 10.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -139.57 120.79 14.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -80.5 141.72 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 t -113.01 95.36 34.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.91 130.57 13.49 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -45.28 103.72 0.36 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 139.96 24.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.66 107.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.28 9.16 35.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 165.79 16.71 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 0.0 110.005 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.93 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.9 p -94.47 32.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.416 ' C ' HD11 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -73.22 134.98 44.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.4 OUTLIER -121.1 -37.02 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.11 148.73 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.51 -173.49 13.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.9 m -139.01 130.66 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 0.809 . . . . 0.0 110.477 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 3.4 mm -66.13 92.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.05 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.19 154.52 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.545 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 42.5 m95 -99.37 85.59 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.09 -26.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -119.98 162.14 19.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' MET . 2.1 mmmm -128.51 -177.51 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.99 123.78 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.09 -1.91 65.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.85 135.17 34.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.74 136.19 41.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.8 mt -115.1 118.24 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.61 134.78 47.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.88 122.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.97 -37.08 3.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.19 135.16 57.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 tp -62.39 144.45 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.1 mt -108.5 -42.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -173.57 151.27 1.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -96.65 142.13 29.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.6 134.25 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -95.55 121.67 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.228 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -127.37 167.03 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.1 -21.37 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.9 tttp -81.03 -52.14 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.238 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.88 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.5 m -79.16 107.86 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -91.18 165.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.28 119.82 3.99 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -86.53 116.55 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.34 165.77 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -78.63 156.03 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -104.01 -12.08 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -174.43 171.52 3.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.38 140.4 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 p 177.18 -171.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 108.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -131.15 149.21 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.38 109.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.73 -67.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -149.76 148.94 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.516 HG22 ' CE2' ' A' ' 27' ' ' TRP . 34.8 mt -113.2 77.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 78' ' ' ILE . 46.2 mt -45.86 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.4 t -91.8 117.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.35 -176.62 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.84 136.08 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.07 -19.71 45.49 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.436 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 25.7 m -56.06 102.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 0.808 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 8.4 mtt180 -88.5 149.3 23.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 82.91 45.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 70' ' ' THR . 19.6 t -89.96 113.15 56.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.46 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.416 HD11 ' C ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -72.79 138.73 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.23 -14.58 61.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.84 112.76 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 65' ' ' LEU . 3.5 mm -45.2 123.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 pt -97.03 -29.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.506 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 32.1 p -167.27 174.31 8.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.298 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.62 153.37 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 p -127.97 151.67 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.81 179.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.49 -13.54 38.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 157.27 35.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.73 8.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.38 -24.42 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.35 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 93' ' ' LYS . 71.8 mt -44.26 -51.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -48.98 -42.72 38.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.2 -35.13 78.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 7.5 m-85 -83.94 -8.57 59.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 7.1 tttm -52.89 -27.24 17.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -129.2 78.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -120.4 136.38 54.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.3 p -137.04 153.01 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.73 80.36 9.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.11 120.46 9.21 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 96.9 p -41.18 107.46 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.6 t 63.01 103.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.66 164.13 25.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.05 71.6 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.14 95.87 3.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.052 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -81.31 130.72 9.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.46 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 m -49.37 109.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.057 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -56.49 146.08 25.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.963 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 t -108.3 137.12 46.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.804 . . . . 0.0 110.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -70.75 127.38 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.94 -68.0 0.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.36 159.59 33.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.974 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 m -125.79 79.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -126.73 -171.09 13.02 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.9 tt0 -143.12 121.67 12.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 0.814 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -78.78 140.9 38.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.67 97.25 36.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.06 124.75 8.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 62.5 tp -40.36 100.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.81 15.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.3 p -65.54 107.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.6 mt -91.71 23.06 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.8 171.46 7.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -65.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -91.7 34.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ttt -73.57 112.55 9.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.27 -25.29 12.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.0 147.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.09 -178.41 15.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -134.47 125.18 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.383 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 38.0 mm -63.68 98.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -58.38 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.6 152.15 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 84.3 m95 -96.19 91.97 6.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -50.05 -22.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -119.61 168.1 11.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 61' ' ' MET . 1.2 mmtt -125.14 -175.11 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.34 128.54 33.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.452 ' HA2' ' CD1' ' A' ' 89' ' ' ILE . . . 83.67 20.15 60.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.46 135.97 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -67.59 138.13 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 97.6 mt -120.7 119.05 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -106.23 139.33 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.22 120.57 2.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.92 -36.05 4.58 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.128 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -53.09 147.86 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 28' ' ' GLU . 6.4 tp -75.82 124.37 27.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -91.11 -45.01 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 156.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' ALA . 29.2 mt-10 -102.3 140.67 36.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.57 135.58 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -99.02 115.01 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.3 p -117.88 167.3 11.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.051 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.59 -22.44 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 7.3 tttt -80.24 -52.43 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 168.17 -174.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 m -80.14 111.51 16.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.137 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.1 t -92.79 165.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.13 115.44 2.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -81.29 108.54 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 0.758 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -91.89 144.28 25.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -67.31 136.19 54.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -111.12 19.49 18.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -165.29 -175.85 3.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.26 109.03 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 p -156.5 -173.89 4.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -119.32 150.22 40.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -62.49 99.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.0 -69.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -147.24 151.44 36.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.476 HG21 ' CE2' ' A' ' 27' ' ' TRP . 54.4 mt -115.52 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 78' ' ' ILE . 42.4 mt -46.25 -59.3 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 79' ' ' ILE . 5.3 t -90.53 118.08 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 -171.98 3.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.28 -20.06 28.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 18.2 m -54.82 103.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.737 . . . . 0.0 110.382 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.559 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 77.2 mtm180 -93.16 147.55 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 7.8 t0 86.23 37.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.361 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.3 t -89.13 114.71 61.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.49 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.96 164.15 33.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 75' ' ' ILE . 3.0 mm -79.08 130.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.9 -20.46 47.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 109.36 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 0.816 . . . . 0.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.473 ' CG2' HD13 ' A' ' 65' ' ' LEU . 4.3 mm -39.73 129.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.46 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 39.8 pt -104.77 -27.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 31.2 p -169.37 173.1 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.511 HG23 ' CE1' ' A' ' 92' ' ' PHE . 1.2 mt -125.69 156.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.8 p -129.04 151.22 49.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.0 m -134.0 -172.49 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.83 -12.49 10.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -145.69 154.96 52.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.46 20.74 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.533 1.807 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.67 -23.62 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -23.31 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.452 ' CD1' ' HA2' ' A' ' 32' ' ' GLY . 33.1 mt -59.41 -41.14 83.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -34.15 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.2 -31.36 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.511 ' CE1' HG23 ' A' ' 81' ' ' ILE . 2.8 m-85 -86.5 -25.85 24.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -37.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -114.57 69.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -114.19 151.5 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.6 p -151.42 131.28 13.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 64.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.234 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.28 105.96 13.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.98 109.46 0.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.38 158.28 38.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 62.84 149.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 46.85 62.83 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.5 p -51.47 94.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 136.2 -171.22 22.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 133.76 17.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.77 16.91 5.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.55 74.01 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.095 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -56.77 98.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.052 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -85.03 113.7 21.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.33 -67.34 0.44 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -54.8 125.47 20.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 0.729 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 m -114.17 98.03 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.946 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.542 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.4 166.16 22.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -129.93 127.59 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -80.43 136.3 36.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.52 97.16 35.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.33 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.4 tp -46.89 104.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.69 28.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.43 108.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -94.63 13.24 24.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.03 169.24 10.58 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -62.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.565 1.824 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.0 p -94.02 33.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.412 ' C ' HD13 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -68.56 134.58 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.9 OUTLIER -121.35 -37.36 2.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.5 145.83 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -171.76 13.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.1 m -137.47 138.17 39.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.388 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' A' ' 27' ' ' TRP . 4.5 mm -75.84 85.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.32 -65.41 0.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 156.6 41.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 73.7 m95 -105.06 80.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -38.63 -32.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 24.4 mmtt -122.87 136.22 54.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -105.0 -170.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.92 134.46 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.04 80.34 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.88 139.19 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttm -79.76 137.59 37.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 18.3 mt -118.15 98.11 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -77.8 133.45 38.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.64 124.9 1.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.41 -34.28 5.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.19 150.73 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.5 tp -77.7 122.22 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.0 mt -84.12 -44.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.29 164.5 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -107.39 156.58 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.1 t -133.51 137.17 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.33 121.43 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.3 p -127.26 165.02 20.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -22.72 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -79.86 -52.19 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -79.5 111.48 15.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.96 163.5 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.4 108.16 1.24 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -75.32 117.57 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.85 164.76 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -94.33 144.38 25.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.7 mt -117.98 17.16 14.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.2 172.17 17.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.3 120.07 41.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 p -170.95 -173.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -123.44 151.37 42.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -61.6 115.29 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.954 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' ' CA ' ' A' ' 82' ' ' THR . . . -78.79 -65.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 31.1 tptt -148.2 148.82 30.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 60.0 mt -112.34 75.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 78' ' ' ILE . 51.0 mt -41.73 -61.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.77 119.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.57 -174.46 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.85 128.54 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -30.63 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.44 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 26.6 m -53.12 101.94 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 8.1 mtm180 -88.68 149.4 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t70 85.93 40.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 70' ' ' THR . 20.7 t -84.95 114.15 54.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.95 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.412 HD13 ' C ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -73.09 139.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 -17.79 51.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 108.96 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 65' ' ' LEU . 3.9 mm -39.54 132.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 pt -105.87 -29.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.1 p -167.16 174.96 7.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.3 mt -129.91 154.6 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.416 ' CA ' ' HB1' ' A' ' 62' ' ' ALA . 69.3 p -126.77 155.32 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.2 -173.65 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.56 -13.69 29.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -150.36 158.34 36.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.14 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.48 -19.89 64.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -33.71 20.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 93' ' ' LYS . 68.6 mt -46.11 -55.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -45.63 -44.75 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.77 79.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.4 m-85 -86.2 -6.98 58.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.9 ttpt -58.75 -32.55 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -115.86 68.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -116.82 145.22 43.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.8 p -140.53 156.87 46.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 65' ' ' LEU . 7.3 mp -86.47 64.13 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.57 92.39 3.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 t -174.91 -57.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.13 92.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.033 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.31 109.04 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.51 144.61 51.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.26 -60.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.23 100.04 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 72.26 4.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.3 p 41.3 82.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.2 p -75.97 112.48 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.43 1.081 . . . . 0.0 110.955 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -84.76 123.44 30.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 0.733 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -178.25 151.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.77 -146.52 8.05 Favored Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.548 1.155 . . . . 0.0 111.04 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.62 163.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 0.699 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -158.47 127.58 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.196 . . . . 0.0 109.936 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -128.19 172.68 19.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.14 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -123.07 127.28 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.35 135.19 35.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.7 t -110.39 98.92 38.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 126.08 9.76 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.562 1.822 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 49.9 tp -41.58 101.22 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.7 p -66.23 108.05 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.97 169.4 10.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 p -97.08 37.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.468 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ttt -78.16 112.61 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -105.09 -24.86 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.35 145.92 5.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.55 -175.8 14.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -134.69 133.6 40.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.479 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 47.8 mm -71.79 90.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.99 -63.96 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.79 156.26 39.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 42' ' ' ALA . 50.7 m95 -104.28 79.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 16.4 tp10 -38.11 -32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' TRP . 46.0 mmtt -111.52 164.54 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -130.11 178.53 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.69 122.16 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.95 37.61 11.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.78 123.19 41.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -61.35 132.79 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.03 104.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -82.5 129.74 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.81 123.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.402 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 104.86 -38.9 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.46 151.44 3.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.7 tp -77.98 130.71 36.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -91.59 -47.94 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . -170.98 161.99 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.85 157.54 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -137.61 136.32 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -98.67 122.63 42.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 p -127.34 165.62 19.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.52 -22.31 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -81.02 -52.03 7.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.26 -175.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 m -79.07 112.76 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.02 165.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.61 110.58 1.51 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -78.3 112.97 15.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 24.0 mt-10 -92.79 169.33 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -95.95 137.16 35.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.937 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -109.24 12.86 24.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.33 169.73 20.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -102.49 122.15 43.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -170.87 -173.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.0 157.1 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.8 tpp -66.23 112.83 4.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.04 -59.44 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -149.55 147.69 28.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 41.7 mt -113.42 79.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 78' ' ' ILE . 52.8 mt -50.22 -57.6 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 2.9 t -96.73 123.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.16 -176.44 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -83.7 128.21 34.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 114.93 -29.84 7.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 59.2 m -49.21 102.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 69.1 mtt180 -92.23 149.44 21.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.0 t70 85.88 36.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.9 t -87.21 115.1 61.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.492 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.95 164.67 32.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.556 1.819 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.6 mm -80.64 129.93 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.51 -20.98 42.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.13 109.68 3.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 65' ' ' LEU . 4.3 mm -39.89 129.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.7 pt -100.11 -33.65 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 24.7 p -166.28 175.26 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 82' ' ' THR . 1.4 mt -128.45 154.55 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.416 ' N ' HG21 ' A' ' 81' ' ' ILE . 32.6 p -134.6 155.58 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.08 -179.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.9 -11.97 41.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 155.71 67.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -17.94 19.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.15 -25.52 58.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.7 -16.74 58.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 93' ' ' LYS . 40.7 mt -65.19 -53.27 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.97 -29.68 43.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.78 -21.23 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 1.5 m-85 -102.66 -11.2 18.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 3.4 tttm -52.87 -21.53 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -126.04 71.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -120.22 142.63 48.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.3 p -139.4 170.32 16.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 65' ' ' LEU . 2.9 mp -97.53 -103.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -40.43 106.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.5 p -98.28 -51.91 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.73 -62.13 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.51 126.22 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.64 130.9 37.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -121.43 157.67 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.76 171.64 36.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.98 37.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 m -132.76 140.99 48.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 110.03 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.6 m -54.4 166.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -161.42 -55.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 0.725 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.63 169.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.17 -175.54 41.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 p -149.48 166.61 28.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -110.7 77.97 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . -130.37 166.74 22.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -124.02 125.99 45.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -80.1 139.19 36.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.45 96.49 36.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.14 11.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.771 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.61 103.35 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.14 32.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.8 p -64.34 110.14 2.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.6 mt -97.32 9.86 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.68 169.35 9.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -90.79 32.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.412 ' CG ' HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -71.19 129.54 39.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -117.91 -32.59 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.63 150.61 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.74 -175.89 14.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.4 m -137.68 127.51 25.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 22.2 mm -63.29 87.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.25 -64.88 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.67 150.9 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.535 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 53.8 m95 -97.39 79.91 2.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.29 -35.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -114.52 152.86 31.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -118.39 179.24 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.29 130.83 44.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.37 16.97 67.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.2 128.9 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 0.717 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -68.07 136.27 53.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -121.01 117.86 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 1.6 m120 -100.57 134.4 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 1.6 tm-20 -38.92 119.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 -29.75 10.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.43 132.71 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.15 122.57 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.5 -47.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -171.87 162.61 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.75 138.08 44.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 94.1 t -120.6 136.5 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.35 115.81 28.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.0 p -109.33 167.88 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -54.63 -19.79 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -84.49 -55.5 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 175.05 -173.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.226 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -75.56 118.66 18.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -107.09 147.1 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.33 125.71 8.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -94.11 109.89 21.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.12 158.6 16.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -84.0 147.71 27.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.6 mt -116.07 15.68 16.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -162.93 -179.33 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -113.18 124.42 52.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 p -177.03 -173.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -120.63 157.13 30.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.75 114.44 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.26 -64.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -148.37 148.9 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.5 HG21 ' CE2' ' A' ' 27' ' ' TRP . 39.2 mt -113.32 74.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 78' ' ' ILE . 42.7 mt -41.9 -61.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.2 t -93.43 118.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.37 -177.39 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.14 127.73 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.229 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 115.97 -28.17 7.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 52.1 m -52.29 101.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 53.2 mtm180 -88.27 149.05 24.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER 84.31 43.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.6 t -88.35 114.44 59.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.16 42.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.412 HD12 ' CG ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -76.32 133.48 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.58 -12.38 66.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ILE . . . -74.88 108.26 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 65' ' ' LEU . 3.7 mm -39.86 124.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 pt -97.38 -33.72 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 25.0 p -163.08 175.04 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 108.368 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 82' ' ' THR . 1.2 mt -129.23 156.11 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.409 ' N ' HG23 ' A' ' 81' ' ' ILE . 66.3 p -129.22 152.1 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.4 -172.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.57 -23.7 10.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.93 64.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -23.31 13.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.13 -16.7 63.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 -33.73 16.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 93' ' ' LYS . 59.7 mt -46.23 -52.9 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -48.11 -33.56 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.46 -34.43 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' ILE . 22.7 m-85 -86.49 -13.25 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -49.54 -28.52 5.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -124.49 70.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -114.04 142.45 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.7 p -143.75 146.19 32.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.468 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.85 125.73 29.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.62 -40.76 63.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.97 90.71 3.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.053 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 t -157.51 107.37 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.29 163.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.22 -60.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 m 57.28 81.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.28 124.8 3.11 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 74.33 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -57.51 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 t -79.6 121.54 25.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -174.5 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 0.8 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -75.6 110.22 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.02 -151.72 23.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 50.26 88.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.608 0.828 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.43 119.47 23.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.524 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . -152.92 167.04 31.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' THR . 2.3 tt0 -143.96 123.15 12.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -79.3 141.0 37.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.7 t -111.97 96.93 36.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.04 9.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 32.7 tp -42.11 101.45 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.97 131.25 14.12 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.9 p -65.69 108.58 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.03 22.76 4.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.6 170.03 8.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.511 1.795 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.54 33.46 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 ttt -71.93 115.83 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -108.37 -26.92 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.6 1.187 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.15 147.24 6.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.87 -179.71 16.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 m -131.0 125.52 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 48.5 mm -64.77 91.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.25 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 152.51 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 42' ' ' ALA . 65.6 m95 -99.23 85.02 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -42.34 -29.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -117.27 151.06 37.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -176.83 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.95 124.14 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.01 -28.27 15.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 134.16 55.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -75.98 136.49 40.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.3 117.28 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.36 143.34 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -40.67 123.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.31 -29.71 10.88 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.5 119.74 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD13 ' CA ' ' A' ' 52' ' ' GLY . 50.5 tp -49.8 134.36 20.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.0 mt -98.89 -42.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . -174.6 159.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -105.63 146.97 28.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.222 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.1 t -128.42 136.61 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.57 118.09 30.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -119.74 163.93 16.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -23.16 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.28 -49.13 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 164.33 -174.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.1 m -77.19 111.81 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.49 165.95 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' CA ' HD13 ' A' ' 40' ' ' LEU . . . -121.01 113.34 2.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' CZ ' ' HG3' ' A' ' 13' ' ' PRO . 13.9 t80 -83.62 113.56 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -94.48 168.65 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -89.28 152.9 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -97.37 -24.5 15.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -144.13 -177.19 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.51 118.46 33.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.97 -176.65 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -121.5 148.88 43.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.5 98.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.02 -69.64 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 35.5 tptt -145.58 145.63 31.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 52.4 mt -110.48 76.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD13 ' CG2' ' A' ' 78' ' ' ILE . 42.6 mt -44.38 -60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.8 t -93.83 120.23 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -175.6 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.66 131.12 34.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.72 -25.31 13.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.145 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.503 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 22.4 m -55.2 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 13.8 mtm-85 -92.48 149.22 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.5 t70 87.23 35.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.1 t -87.75 115.66 63.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.08 164.76 32.58 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 75' ' ' ILE . 2.8 mm -79.86 132.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.07 -14.88 63.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.12 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.6 108.33 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.458 ' CG2' HD13 ' A' ' 65' ' ' LEU . 4.1 mm -39.88 125.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.1 pt -102.43 -27.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 p -168.7 174.97 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 108.227 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.3 mt -126.69 156.29 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLN . 70.4 p -134.71 137.16 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 85' ' ' LYS . 30.5 m -111.01 172.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.55 -21.35 34.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.576 1.173 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.58 155.28 79.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.781 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -12.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.42 -20.95 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.23 3.31 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.9 mt -73.89 -37.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -73.08 -29.61 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.65 68.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.524 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.2 m-85 -101.44 -12.84 18.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -43.79 -28.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 92' ' ' PHE . 3.3 p30 -126.66 74.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -115.91 144.25 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 p -146.86 157.1 43.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.25 71.3 10.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.057 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -147.29 94.94 2.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.34 89.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.52 138.36 52.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -161.08 138.33 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -161.62 88.85 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.5 p -120.2 166.83 12.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.66 97.78 0.16 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.097 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 168.2 25.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.819 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 t 67.31 151.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.3 p -48.48 163.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -44.68 -58.27 3.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 0.741 . . . . 0.0 110.04 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -88.29 89.48 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.055 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.58 -104.16 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.596 1.185 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 p -122.46 142.78 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -107.57 103.51 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -136.16 -171.79 12.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -137.61 126.73 24.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 0.704 . . . . 0.0 110.237 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -78.02 137.35 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.4 t -113.36 95.17 34.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.61 13.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -47.12 104.84 0.43 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.91 30.74 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -64.39 109.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 mt -95.9 13.87 25.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.3 167.64 14.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.058 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.98 -59.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -94.17 32.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.407 ' C ' HD13 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -72.02 130.98 42.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -119.29 -34.53 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.2 148.23 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.56 -171.79 13.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.561 1.163 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -139.94 137.33 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 39.1 mm -73.27 95.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.42 -62.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -157.31 144.85 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.415 ' NE1' HG23 ' A' ' 24' ' ' ILE . 60.4 m95 -88.32 83.61 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.044 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -39.61 -33.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -111.33 174.28 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -132.56 177.21 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.68 129.39 38.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.72 38.19 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.16 169.16 9.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' CE ' ' OE2' ' A' ' 58' ' ' GLU . 1.6 tttm -103.17 136.42 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 7.2 mt -124.27 133.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 4.0 m120 -119.25 136.87 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -38.06 118.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.89 6.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.11 137.05 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.425 HD13 ' CA ' ' A' ' 52' ' ' GLY . 39.7 tp -67.12 117.78 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.5 mt -83.71 -37.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -179.19 164.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -108.3 144.89 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.15 133.46 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -92.75 119.34 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 p -121.53 165.87 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -22.04 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.02 -51.46 8.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.93 -174.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 m -76.9 111.77 12.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.19 164.36 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' CA ' HD13 ' A' ' 40' ' ' LEU . . . -119.26 107.47 1.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -76.38 114.3 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.72 164.88 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -86.21 156.72 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.25 -19.68 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' OE2' ' CE ' ' A' ' 34' ' ' LYS . 14.8 tt0 -102.12 107.22 18.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p -151.68 -173.28 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.348 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -120.07 152.84 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.18 126.16 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.42 ' CB ' HG12 ' A' ' 83' ' ' VAL . . . -94.57 -62.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -147.16 147.08 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.422 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 55.2 mt -112.87 75.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -45.35 -58.67 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.13 122.09 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.61 -172.22 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.483 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -87.71 132.79 34.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 107.5 -23.82 25.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.1 m -54.82 102.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 28.1 mtm105 -89.3 149.55 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 9.0 t0 84.17 44.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.6 t -90.21 114.27 60.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 156.34 43.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.407 HD13 ' C ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -74.34 140.06 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.79 -13.56 62.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.75 108.74 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.5 mm -40.32 126.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 pt -97.4 -29.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -169.98 174.83 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.512 HG21 ' CE1' ' A' ' 92' ' ' PHE . 1.3 mt -128.62 156.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.421 ' N ' HG22 ' A' ' 81' ' ' ILE . 43.4 p -127.6 153.48 46.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.42 HG12 ' CB ' ' A' ' 62' ' ' ALA . 2.9 m -127.73 -172.19 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.07 -27.38 3.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.88 157.26 72.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.394 0.702 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.16 -23.84 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -81.82 -4.58 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 93' ' ' LYS . 98.6 mt -69.42 -58.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -28.21 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.69 60.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.6 m-85 -104.18 -18.83 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -51.3 -22.44 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -127.76 74.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.239 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.31 138.69 53.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -135.84 164.98 26.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 mp -90.42 84.55 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.236 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 172.14 112.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.97 168.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.97 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t 65.37 162.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 67.44 142.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -176.42 155.46 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.37 143.04 9.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.5 150.74 20.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 123.09 7.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.9 t -69.38 159.41 33.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.5 m -112.07 134.46 53.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.038 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.458 1.098 . . . . 0.0 110.977 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -75.73 -59.7 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.036 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.02 132.63 40.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.97 -119.41 2.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.31 154.23 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -103.49 85.4 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.87 -176.55 14.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -143.62 121.81 12.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 110.301 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -80.87 136.73 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.28 98.09 38.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.26 7.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 HD23 ' CG1' ' A' ' 73' ' ' VAL . 53.4 tp -41.19 100.89 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 132.87 16.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.7 p -67.54 109.13 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.2 25.34 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.5 172.0 6.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -62.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 p -98.11 40.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.428 ' CG ' HD13 ' A' ' 75' ' ' ILE . 5.2 ttt -80.54 118.61 22.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -109.76 -22.89 11.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.0 146.6 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 173.56 19.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -122.59 127.48 49.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 66' ' ' VAL . 13.5 mm -71.65 88.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.83 -64.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? -146.68 170.14 17.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.567 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 37.8 m95 -114.3 80.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.79 -35.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -113.97 167.59 10.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -133.88 179.09 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.48 121.0 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.28 49.73 4.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.98 124.43 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.799 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 2.3 tttm -62.51 137.64 58.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 4.6 mt -124.05 142.4 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.362 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -122.57 134.6 54.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.2 125.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.4 -18.98 56.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.75 126.44 29.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.02 115.9 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mt -80.24 -46.99 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.567 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -165.97 164.35 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -108.44 137.63 46.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.0 t -119.14 130.54 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -91.28 117.18 29.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.1 p -118.47 166.81 12.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.42 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.26 -21.15 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.67 -51.54 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 167.94 -174.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.4 m -77.5 111.71 13.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.39 163.89 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.06 105.19 0.96 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -76.04 111.18 11.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 0.707 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.84 151.59 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -66.67 150.07 49.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -101.3 -18.04 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -144.3 178.66 7.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -101.13 98.62 9.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.218 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 p -146.4 -174.37 4.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 2.1 m-85 -120.87 157.1 30.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.2 tpp -65.78 112.88 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.7 -61.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.2 tptm -144.78 150.99 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 20.7 mt -120.25 91.52 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 78' ' ' ILE . 25.0 mt -61.09 -58.42 8.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.466 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 20.5 t -80.49 122.63 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.49 -160.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.6 136.01 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.83 2.06 69.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.43 ' CG2' HG12 ' A' ' 66' ' ' VAL . 51.6 m -65.11 107.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -98.55 167.02 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.9 t70 81.81 28.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG1' HD23 ' A' ' 12' ' ' LEU . 8.7 t -87.88 113.44 54.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.426 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.0 161.35 38.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.7 mm -75.79 132.23 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.37 -21.23 47.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.11 110.21 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 65' ' ' LEU . 4.3 mm -40.54 129.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.3 pt -99.31 -42.1 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.3 p -158.85 169.12 25.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 82' ' ' THR . 1.4 mt -122.35 154.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' HG21 ' A' ' 81' ' ' ILE . 71.3 p -129.67 146.89 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 m -124.37 -174.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.21 -8.26 27.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -149.73 157.57 38.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -26.18 11.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.93 -25.17 63.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.94 -23.59 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 44.5 mt -60.35 -37.5 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.85 -34.98 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.26 -31.32 62.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 81' ' ' ILE . 2.6 m-85 -88.8 -17.97 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -21.35 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -125.35 70.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -120.32 136.55 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.5 p -136.02 153.85 51.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.29 96.21 8.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -172.24 95.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 109.345 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.6 p -163.53 152.47 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.2 p -96.3 141.55 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.33 124.13 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.76 132.71 52.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.2 p -155.53 148.46 24.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.19 153.25 13.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 91.52 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.564 1.823 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.52 97.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -130.28 -58.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.058 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -162.6 160.08 25.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -111.09 132.82 53.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.15 99.64 1.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -178.95 146.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 p -111.61 102.2 10.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -130.17 179.06 17.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -141.27 121.84 14.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -79.36 137.87 37.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.6 t -110.21 98.9 37.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 14.3 tp -43.65 102.44 0.28 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 131.24 14.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 111.032 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.7 p -65.9 108.69 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -92.18 24.71 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.95 166.66 15.89 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 p -102.77 38.94 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.587 1.179 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.8 ttt -83.25 112.93 20.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -104.56 -25.02 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.05 145.21 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.22 -176.75 14.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 m -133.71 130.11 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 69' ' ' GLY . 41.8 mm -67.75 89.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.08 -63.62 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.52 157.5 39.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.549 ' CE3' ' HB3' ' A' ' 42' ' ' ALA . 63.9 m95 -104.7 78.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.076 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' TRP . 35.9 mmtt -111.61 164.76 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.243 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -129.55 179.54 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.09 126.44 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.1 5.27 76.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.23 132.17 34.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -69.77 135.84 50.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.04 104.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 30.1 m-80 -90.31 132.8 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -38.39 120.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 -42.8 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.3 153.69 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.48 128.62 33.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.3 mt -87.09 -44.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . -174.81 167.82 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.42 160.3 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.6 t -140.3 135.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.349 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.75 125.42 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.9 p -125.96 173.9 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.51 -18.11 26.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -87.04 -57.04 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 174.22 -175.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -79.32 112.27 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.46 164.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.58 109.9 1.84 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -79.95 112.06 16.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 0.71 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 167.53 12.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -90.7 135.7 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.5 mt -109.88 19.68 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -168.64 172.33 8.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.26 127.62 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p 179.83 -173.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -125.47 152.85 44.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.2 tpp -61.47 106.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.21 -63.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -150.16 148.44 28.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.454 HG22 ' CE2' ' A' ' 27' ' ' TRP . 67.5 mt -112.61 75.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.0 mt -44.34 -60.21 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.2 t -93.81 116.11 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.56 -176.32 5.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -82.69 131.55 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.25 -28.01 10.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 52.2 m -53.42 101.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 0.719 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 22.5 mtp180 -90.97 151.22 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 84.82 38.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.7 t -90.37 114.08 59.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.501 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.67 32.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.418 HD11 ' N ' ' A' ' 75' ' ' ILE . 2.5 mm -80.39 130.39 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.45 -18.66 53.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.05 109.09 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.2 mm -40.04 128.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.414 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 38.1 pt -102.74 -32.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.9 p -162.0 173.32 14.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 82' ' ' THR . 1.3 mt -126.11 156.32 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.406 ' N ' HG21 ' A' ' 81' ' ' ILE . 6.4 p -129.79 144.49 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.444 ' CG1' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -120.53 -172.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.07 -12.37 27.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.5 157.48 33.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -29.17 8.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.08 -21.82 47.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.61 -35.42 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 95.3 mt -41.06 -53.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -45.93 -50.29 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 22.8 m-85 -81.61 -9.51 59.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -32.17 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -118.58 71.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -116.08 148.59 40.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.0 p -145.37 146.38 31.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.1 143.53 33.87 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -145.34 -47.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.2 m 56.03 167.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.943 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m 66.94 123.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 63.95 84.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -165.03 140.87 5.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 m -89.61 145.54 25.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 110.063 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.38 160.53 9.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -51.62 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 m 48.03 93.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.81 -58.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.134 . . . . 0.0 110.932 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -160.74 92.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.804 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -74.7 118.43 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.97 90.2 0.13 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -149.82 149.48 30.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.025 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -138.17 76.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.944 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -127.41 -170.62 12.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.1 tt0 -144.04 124.18 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -80.28 135.93 36.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.93 98.09 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.88 124.18 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 51.2 tp -40.07 100.16 0.21 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -75.04 131.7 14.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.8 p -65.49 107.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -91.39 22.38 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.27 171.34 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -63.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 p -93.69 34.44 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.5 ttt -72.7 112.25 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.76 -24.41 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.51 151.11 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.74 -175.21 13.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 m -136.0 130.51 33.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 37.8 mm -68.87 89.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.59 -64.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.65 157.51 43.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.497 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 50.3 m95 -105.56 80.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' TRP . 18.8 tp10 -37.92 -36.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 34' ' ' LYS . 27.8 mmtt -112.03 162.84 14.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -128.38 175.05 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.94 130.8 44.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.48 27.22 57.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.92 143.23 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 1.5 tttm -78.02 136.3 37.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.1 mt -124.17 140.64 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -126.98 137.58 53.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.05 121.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -43.49 1.66 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -50.71 123.61 9.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' CA ' ' A' ' 52' ' ' GLY . 60.8 tp -53.76 137.85 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.415 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 35.8 mt -102.35 -42.42 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -171.65 160.97 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -105.81 155.8 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.72 128.89 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.01 115.72 26.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 48' ' ' LYS . 26.3 p -118.62 160.48 21.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.56 -25.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 1.5 mttt -78.01 -52.39 8.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.366 1.041 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 168.0 -174.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.8 m -76.77 112.93 13.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.56 164.95 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.467 ' CA ' HD12 ' A' ' 40' ' ' LEU . . . -126.88 105.97 0.8 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.585 1.178 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -74.31 119.48 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 0.731 . . . . 0.0 111.051 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.88 162.18 14.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.415 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 12.6 t -76.26 145.06 39.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.21 -30.33 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -174.06 178.03 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -57.17 142.47 42.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.4 p 170.39 -174.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.414 ' CB ' HD13 ' A' ' 89' ' ' ILE . 3.9 m-85 -139.61 152.52 46.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.9 tpp -65.08 121.15 14.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.91 -62.53 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -147.61 148.07 30.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 52.4 mt -113.91 76.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 78' ' ' ILE . 57.3 mt -47.46 -58.22 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 2.6 t -96.63 123.58 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.09 179.73 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.61 129.71 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 110.356 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 113.17 -29.59 7.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 71.6 m -51.32 102.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 44.4 mtp180 -91.83 151.31 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER 85.44 34.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 70' ' ' THR . 5.9 t -84.17 114.9 57.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.491 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.06 36.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.7 mm -79.63 130.84 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.28 -17.03 57.5 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.68 109.15 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.464 ' CG2' HD13 ' A' ' 65' ' ' LEU . 4.0 mm -40.3 126.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.0 pt -97.62 -33.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.0 p -166.18 174.71 8.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 82' ' ' THR . 1.3 mt -127.21 156.74 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 58.9 p -132.87 160.91 35.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.4 m -131.11 -171.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.65 -14.58 17.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -142.71 158.53 59.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.576 0.81 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -76.93 -45.57 27.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.99 -21.1 65.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' LYS . 16.8 mt -58.6 -49.98 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.63 -33.95 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.61 -17.35 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.0 m-85 -104.9 -14.21 15.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -54.37 -22.2 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -127.39 73.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -121.15 146.37 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 p -138.34 167.37 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 65' ' ' LEU . 2.4 mp -94.42 -177.38 4.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 53.18 95.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.2 m 62.34 109.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -151.76 -58.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.12 -61.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.607 1.192 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.58 96.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.0 t -178.91 82.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.58 134.92 46.11 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.545 1.813 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.47 86.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.67 159.43 22.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.067 . . . . 0.0 109.95 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.76 167.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 0.814 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 p -139.89 122.35 16.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.94 89.65 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -162.16 121.44 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 110.019 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 t -116.95 100.33 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -132.56 -172.14 12.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 111.036 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.8 OUTLIER -143.5 122.2 12.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -80.47 137.21 36.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.7 t -110.6 98.91 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.94 123.82 8.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 24.4 tp -40.22 100.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.51 12.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.579 1.831 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -63.27 108.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -92.06 23.68 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.03 169.48 10.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -61.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.6 p -91.79 31.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 ttt -71.21 111.79 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.3 -25.68 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -166.15 151.11 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.13 -175.19 13.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.4 m -135.71 131.79 36.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 0.767 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.491 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 50.8 mm -69.53 90.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.83 -63.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -156.9 159.09 37.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 42' ' ' ALA . 74.8 m95 -105.08 84.7 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HG3' ' CD2' ' A' ' 40' ' ' LEU . 1.3 mm-40 -39.35 -32.99 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -114.45 167.29 10.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.54 -178.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -72.17 126.61 30.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.56 -17.38 58.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.87 146.77 54.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttt -81.59 138.16 35.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.428 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 40.5 mt -123.3 120.92 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -108.46 141.47 40.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.27 124.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.94 -41.49 2.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.38 127.41 15.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 0.794 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 28' ' ' GLU . 14.6 tp -58.04 134.16 56.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.6 mt -100.46 -35.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . -177.56 169.31 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -116.62 143.06 46.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.67 134.55 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -95.56 113.66 25.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.5 p -116.43 162.41 17.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -26.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 16.6 tttt -76.53 -51.02 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 165.71 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.5 m -76.83 113.63 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.26 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.85 114.35 2.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' N ' HD12 ' A' ' 40' ' ' LEU . 4.1 t80 -80.92 117.37 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.05 153.32 19.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.258 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.4 t -66.22 158.04 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.085 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -97.9 -20.6 17.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -179.97 175.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.7 135.72 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.6 p 179.9 -170.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CE2' ' HA ' ' A' ' 85' ' ' LYS . 4.5 m-85 -134.58 147.79 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.53 102.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.37 -68.84 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -147.97 150.6 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 27' ' ' TRP . 67.3 mt -115.01 75.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.193 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.472 HD12 ' CG2' ' A' ' 78' ' ' ILE . 48.6 mt -44.96 -59.83 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.3 t -91.99 119.81 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.23 -177.29 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 4.0 pm0 -83.63 133.77 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.88 -22.8 27.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 17.8 m -53.55 102.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 94.7 mtt180 -91.98 149.56 21.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 t0 82.26 40.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.6 t -89.44 116.82 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.466 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.7 Cg_endo -74.95 161.63 38.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 21' ' ' ALA . 3.1 mm -77.62 134.94 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.31 -20.69 49.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.04 109.22 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.472 ' CG2' HD12 ' A' ' 65' ' ' LEU . 4.7 mm -40.45 126.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.9 pt -99.71 -29.02 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 30.9 p -168.97 173.79 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.246 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.29 156.47 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 p -128.35 153.05 47.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -131.78 176.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.94 -1.56 48.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.472 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 14.2 pttm -160.91 157.63 23.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -31.29 6.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.11 -25.39 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.29 -37.78 16.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 93' ' ' LYS . 95.8 mt -42.63 -51.97 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.22 72.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.6 m-85 -86.5 -8.47 57.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -58.69 -36.32 74.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -113.01 70.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.4 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -115.74 143.25 45.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.5 p -144.62 143.26 30.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 65' ' ' LEU . 2.0 mp -79.39 67.06 5.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -135.95 92.83 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.58 148.92 7.94 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -138.93 103.7 4.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.96 94.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.86 94.47 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.37 107.59 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.1 97.71 1.92 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 60.65 5.46 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t -56.2 141.61 40.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.0 p -96.89 -57.73 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.096 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t 179.47 112.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.57 98.34 7.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.926 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.88 -179.92 18.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.577 1.173 . . . . 0.0 111.009 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.86 -65.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m 64.36 61.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -124.09 -169.17 13.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.4 tt0 -142.69 122.19 13.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -79.88 138.57 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.8 t -112.4 96.35 35.44 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 57.7 tp -42.86 102.06 0.26 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CG ' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.06 132.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.1 p -66.68 108.79 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.87 23.67 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.29 166.47 16.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -55.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.3 p -95.8 32.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.9 ttt -78.14 110.46 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -102.45 -25.3 13.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.61 149.39 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -179.56 16.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -134.83 123.66 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.348 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.54 103.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.53 -60.69 2.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.32 155.21 41.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.457 ' NE1' ' O ' ' A' ' 66' ' ' VAL . 10.7 m95 -97.25 78.22 2.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -33.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -120.79 159.99 24.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -127.97 174.64 9.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.49 125.21 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.0 42.48 8.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.1 tttm -69.27 137.34 53.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.9 mt -124.39 147.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.25 134.16 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.89 121.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.74 -40.91 2.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.89 138.08 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' CA ' ' A' ' 52' ' ' GLY . 61.9 tp -62.99 136.94 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 15.3 mt -103.93 -39.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -172.33 153.67 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' CG ' HD22 ' A' ' 40' ' ' LEU . 6.2 mt-10 -105.07 141.56 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.9 t -124.07 145.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.78 117.86 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.6 p -114.42 169.02 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.63 -18.52 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.98 -49.8 7.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 167.26 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -77.12 113.9 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.512 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.92 165.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.472 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -122.21 110.49 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.542 ' CE1' ' CG ' ' A' ' 13' ' ' PRO . 25.5 t80 -80.47 115.72 20.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -92.03 161.4 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.4 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 38.6 t -71.91 150.15 44.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.97 -14.04 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.397 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -176.65 168.16 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.03 129.85 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.406 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -176.1 176.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 108.355 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -121.82 147.54 45.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -61.39 117.62 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.11 -54.25 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 9.3 tptt -154.33 149.48 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 66' ' ' VAL . 72.8 mt -116.45 84.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 78' ' ' ILE . 41.0 mt -51.58 -57.47 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 12.3 t -83.83 132.55 31.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.41 -157.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -100.34 134.25 43.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 -0.28 84.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 39.5 m -56.28 102.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 8.6 mtm180 -93.3 148.14 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t0 83.96 40.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.3 t -91.48 114.11 60.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.481 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.97 34.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 75' ' ' ILE . 2.9 mm -79.75 131.72 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.04 62.85 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.38 109.51 4.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.462 ' CG2' HD13 ' A' ' 65' ' ' LEU . 3.8 mm -41.4 128.19 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 39.8 pt -101.03 -30.62 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.8 p -170.2 172.67 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 108.31 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.461 HG21 ' CE1' ' A' ' 92' ' ' PHE . 1.3 mt -124.1 155.32 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.421 ' N ' HG22 ' A' ' 81' ' ' ILE . 77.1 p -131.6 150.95 51.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.26 -171.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.87 -25.14 5.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 153.94 78.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.6 20.68 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.92 -36.05 64.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -70.83 -18.33 62.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' LYS . 43.4 mt -64.65 -53.63 39.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.59 -31.11 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.94 -33.02 63.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.5 m-85 -87.52 -19.71 27.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -46.25 -30.47 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -119.9 71.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -118.34 156.82 28.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 p -145.59 167.49 22.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.7 mp -92.12 79.06 5.17 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -148.17 133.18 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.0 m -107.63 -54.23 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.5 m -165.87 144.07 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.0 -61.87 2.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.3 -60.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -170.24 -58.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 51.4 -145.48 12.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.404 1.065 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 158.77 42.32 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t 178.71 104.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -58.48 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -54.63 133.83 46.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t 50.25 93.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.81 95.55 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t 58.74 91.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 p -114.85 117.39 30.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.063 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -133.39 174.72 20.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -127.57 124.12 37.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -75.44 140.37 42.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -111.19 98.02 37.67 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.4 8.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD23 ' CG1' ' A' ' 73' ' ' VAL . 42.5 tp -42.64 101.76 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.572 1.827 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.3 p -64.72 107.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 mt -91.83 22.42 4.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.34 171.0 7.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -63.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 p -93.06 35.0 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.4 ttt -74.86 112.87 11.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.39 -22.02 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' N ' HD11 ' A' ' 75' ' ' ILE . . . -166.43 152.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.77 -177.11 14.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -132.72 131.84 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.359 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.491 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 31.1 mm -68.94 86.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.65 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.382 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.66 157.38 35.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 71.6 m95 -102.62 81.6 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 3.2 tp10 -38.19 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.155 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' TRP . 18.8 mmtt -114.12 173.77 6.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -135.17 178.57 6.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.24 130.48 43.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.7 24.05 63.29 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.83 129.63 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.418 0.716 . . . . 0.0 109.395 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -64.65 133.8 52.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.9 mt -123.94 104.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -87.8 145.85 25.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.087 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 121.78 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.3 -31.27 8.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -56.59 126.29 26.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.362 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.17 126.39 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.401 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.9 mt -90.97 -44.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 109.214 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -173.67 164.22 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.43 140.95 44.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -120.44 138.12 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -98.2 112.09 24.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.9 p -114.07 165.33 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -50.07 -24.3 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 7.7 tttp -79.18 -54.28 6.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 169.84 -175.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.6 m -77.27 108.96 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.02 160.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.87 113.15 2.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.17 113.33 19.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.27 154.16 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.2 t -78.86 135.35 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -109.51 21.38 17.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.7 169.68 14.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.28 109.27 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -163.0 -173.19 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.326 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -124.24 157.03 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 54.2 tpp -65.29 110.57 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.432 ' CB ' HG12 ' A' ' 83' ' ' VAL . . . -75.8 -58.99 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -153.3 148.73 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 42.1 mt -112.08 78.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 78' ' ' ILE . 39.9 mt -46.31 -59.81 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 t -95.29 121.52 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.82 -173.23 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -88.5 132.91 34.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.33 -20.63 30.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 82.3 m -59.42 104.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 2.7 mtt-85 -93.19 155.03 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER 84.38 30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 70' ' ' THR . 5.5 t -82.54 114.38 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 163.34 35.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.42 ' N ' HD13 ' A' ' 75' ' ' ILE . 2.6 mm -79.92 130.98 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.97 -16.39 58.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.29 115.15 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.349 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 65' ' ' LEU . 3.4 mm -47.2 124.61 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.8 pt -97.86 -37.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.24 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.9 p -158.58 171.9 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.305 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 mt -123.68 156.83 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 62.3 p -131.51 150.36 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.431 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.432 HG12 ' CB ' ' A' ' 62' ' ' ALA . 22.3 m -126.96 -168.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.67 -12.64 14.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.411 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -145.76 153.1 50.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.25 21.54 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -75.49 -38.73 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -72.13 -16.52 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' PHE . 18.4 mt -65.09 -51.17 69.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -46.18 -41.95 13.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.54 80.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.9 m-85 -81.23 -20.32 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ILE . 1.6 tttm -43.92 -36.97 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.208 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -116.58 68.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -112.2 139.6 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.9 p -140.4 141.58 35.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.31 139.72 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -161.69 -53.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.1 p -145.54 171.51 14.57 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.61 80.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.59 63.6 0.73 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.89 111.08 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.73 109.24 18.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.75 -165.51 10.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.27 4.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.5 t -80.32 108.83 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.59 159.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.93 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.6 1.187 . . . . 0.0 111.007 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.91 118.38 26.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 0.799 . . . . 0.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.36 -52.95 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.62 -69.15 2.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.12 108.91 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 110.04 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -69.61 80.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -137.56 175.62 21.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -133.91 124.3 26.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 0.793 . . . . 0.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -81.71 140.8 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -112.09 96.81 36.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.417 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.1 Cg_endo -74.95 122.44 7.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 28.0 tp -40.62 100.5 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 131.37 14.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.7 p -64.27 108.26 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.049 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.46 23.76 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.2 170.9 7.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -96.65 37.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.2 ttt -77.36 109.92 11.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -25.31 13.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.27 149.23 7.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -133.81 -171.62 12.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -138.76 131.86 29.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.488 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 48.5 mm -68.76 92.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.88 -63.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -150.57 162.29 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.549 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 42.7 m95 -110.17 81.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.047 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -42.82 -28.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -117.57 154.33 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.47 175.62 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.59 129.27 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.62 29.86 38.12 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.38 1.05 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.34 140.75 46.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.45 134.11 37.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.376 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.2 mt -122.27 138.21 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.05 142.61 47.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.6 119.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.4 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 101.28 -43.01 1.8 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.56 121.36 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.3 tp -50.55 134.73 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.2 mt -103.74 -38.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.611 1.194 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 163.03 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -107.9 164.89 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -143.51 135.62 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.91 118.81 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 p -120.13 169.36 10.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -19.45 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -86.07 -50.35 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -77.1 114.4 15.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.69 166.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.62 112.12 1.9 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -82.4 116.57 21.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 0.804 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 29.1 mt-10 -92.66 167.21 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -81.95 154.03 25.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.1 -24.35 16.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.42 -173.23 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -89.14 133.15 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.3 p 179.35 -171.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -127.62 159.93 33.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 tpp -68.65 111.07 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' HB1' ' CA ' ' A' ' 82' ' ' THR . . . -75.22 -58.4 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' ILE . 52.0 tptt -155.82 144.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 54.3 mt -109.91 76.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD13 ' CG2' ' A' ' 78' ' ' ILE . 54.3 mt -46.43 -59.2 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.1 t -94.44 120.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.5 -174.89 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.28 132.23 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 108.21 -22.67 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.492 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 54.5 m -54.92 102.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 0.797 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.427 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 76.1 mtm180 -88.65 155.02 19.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER 77.47 44.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 70' ' ' THR . 11.5 t -91.89 114.35 61.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.493 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 75' ' ' ILE . 2.4 mm -79.96 130.42 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.06 -16.01 58.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.74 107.84 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.458 ' CG2' HD13 ' A' ' 65' ' ' LEU . 4.5 mm -40.81 122.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.5 pt -94.19 -35.47 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 p -161.07 176.32 11.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.265 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.4 mt -130.0 155.06 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.4 ' CA ' ' HB1' ' A' ' 62' ' ' ALA . 2.2 p -127.74 158.54 37.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.32 -173.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.19 -17.53 13.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.11 158.08 45.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -21.77 15.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.64 -25.23 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.28 -33.92 19.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 93' ' ' LYS . 61.3 mt -44.13 -48.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.59 -46.11 66.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.15 75.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 16.6 m-85 -86.22 -6.96 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.8 tttt -64.97 -12.69 52.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -136.08 71.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -120.65 120.2 35.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.2 p -115.66 156.85 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mp -94.06 112.84 24.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 t70 176.76 -64.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t -156.86 110.74 2.67 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.9 p -51.97 179.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.937 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -158.63 97.18 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.97 113.11 17.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.5 p -129.21 118.82 22.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.924 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.65 97.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -43.06 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -136.72 -61.42 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -177.84 -57.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.17 156.17 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -65.26 -55.01 20.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.34 124.91 1.35 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 m -150.26 123.5 8.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 0.769 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -161.24 139.83 9.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.955 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . -131.75 171.05 21.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -120.21 128.35 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -82.4 138.19 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.6 t -110.63 98.94 39.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 126.15 9.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 56.3 tp -43.11 102.16 0.27 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.02 132.62 15.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.8 p -66.4 108.85 2.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.13 24.34 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.4 168.84 11.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.596 1.185 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -58.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 p -96.41 35.77 1.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 ttt -77.69 115.66 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -108.44 -23.3 11.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.22 150.16 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.4 -179.31 16.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 m -131.49 130.53 42.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 37.2 mm -69.72 89.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.391 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.03 -64.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.11 153.79 32.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 110.219 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.574 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 68.3 m95 -99.12 79.9 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 108.052 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' TRP . 38.4 tp10 -38.31 -32.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 39.0 mmtt -109.98 167.19 10.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.232 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -130.73 176.17 8.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.14 137.23 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.55 40.67 90.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.84 121.04 35.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 0.788 . . . . 0.0 109.368 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 5.0 tttt -58.14 137.66 56.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.42 ' CG2' ' OD1' ' A' ' 39' ' ' ASP . 8.1 mt -124.14 136.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -113.52 131.72 55.96 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 121.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 -34.3 5.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' OD1' ' CG2' ' A' ' 35' ' ' ILE . 0.9 OUTLIER -49.95 162.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.7 tp -90.93 114.16 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -76.67 -46.33 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -175.27 165.37 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -106.79 154.48 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.5 t -135.68 134.31 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.76 119.93 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 48' ' ' LYS . 54.1 p -121.54 165.48 15.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -77.57 -70.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.81 -174.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.7 m -76.66 113.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.443 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.08 165.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.91 106.67 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.457 ' CZ ' ' HG3' ' A' ' 13' ' ' PRO . 9.9 t80 -76.79 114.76 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.07 163.05 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 10.0 t -75.66 160.45 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.0 -18.64 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 55' ' ' SER . 5.9 pt-20 -162.57 171.16 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -82.67 112.85 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.7 p -156.22 -174.33 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -123.46 148.78 45.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 54.6 tpp -61.58 114.68 3.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.077 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.45 -63.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' ILE . 10.9 tptt -149.51 146.65 27.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.455 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 29.1 mt -110.09 79.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 78' ' ' ILE . 37.4 mt -47.91 -59.47 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 3.8 t -94.83 122.32 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.27 -174.49 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.495 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -85.73 131.56 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.46 -22.3 26.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.422 1.076 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 99.8 m -57.56 103.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 85.8 mtm-85 -94.42 151.66 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 87.27 31.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.2 t -84.41 115.35 60.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.443 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.15 33.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.441 1.758 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 75' ' ' ILE . 3.4 mm -78.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.84 -20.11 50.51 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.426 1.078 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.04 110.16 2.83 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.46 ' CG2' HD11 ' A' ' 65' ' ' LEU . 4.3 mm -40.09 130.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.5 pt -102.17 -33.05 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -165.52 174.34 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.2 mt -127.71 155.7 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 81' ' ' ILE . 32.8 p -130.36 156.03 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.8 m -133.81 -172.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.4 1.063 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.42 -9.55 19.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.58 1.175 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.87 154.79 44.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.61 16.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.79 -33.36 73.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -78.41 -36.36 45.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 93' ' ' LYS . 49.2 mt -44.59 -53.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.07 -33.95 65.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.247 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.11 -19.48 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.432 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.0 m-85 -102.55 -12.27 17.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.89 -20.55 23.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -125.98 68.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -121.23 149.82 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -141.46 168.6 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' N ' ' OG1' ' A' ' 96' ' ' THR . 5.1 mp -92.32 115.87 28.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -161.25 -50.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.62 101.78 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.3 m -98.66 -56.18 2.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.22 155.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.7 95.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.4 p -114.44 -58.48 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 142.89 165.03 10.45 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.434 1.755 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.5 m -108.81 134.0 52.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.75 95.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.935 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -158.41 120.69 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.933 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.74 136.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.72 72.19 0.89 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 p -156.27 121.22 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 m -150.66 93.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.47 -168.01 12.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -135.44 122.76 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -78.16 141.9 38.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -112.71 96.08 35.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.9 122.93 7.56 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 44.8 tp -40.01 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.0 131.62 14.5 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.76 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.4 p -65.63 108.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' CD1' HG21 ' A' ' 51' ' ' VAL . 13.7 mt -92.24 23.69 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.51 170.84 7.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -63.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -93.27 35.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ttt -73.34 115.31 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -108.24 -24.3 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -165.59 157.02 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.89 -178.71 17.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 m -134.8 123.07 22.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.39 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 39.4 mm -63.43 93.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -63.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.69 148.86 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.561 ' CE3' ' HB1' ' A' ' 42' ' ' ALA . 82.4 m95 -95.48 89.36 5.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -39.0 -44.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' TRP . 41.6 mmtt -96.82 179.32 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 61' ' ' MET . 7.7 mmtt -135.12 -175.96 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 5.8 mt-10 -74.84 125.78 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.447 ' HA2' ' CD1' ' A' ' 89' ' ' ILE . . . 84.06 12.12 77.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.78 135.03 34.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.4 tttm -68.7 137.79 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 50.4 mt -122.76 133.53 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.81 139.33 50.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.06 117.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.58 -44.37 1.52 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.419 1.075 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -44.27 134.63 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.68 121.89 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 62.8 mt -81.25 -46.94 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.561 ' HB1' ' CE3' ' A' ' 27' ' ' TRP . . . -175.61 156.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.45 141.96 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 56.1 t -125.64 137.43 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.66 117.96 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.2 p -108.63 178.78 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -8.11 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -98.47 -49.5 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 172.38 -174.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.1 m -76.48 119.99 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 44' ' ' VAL . 1.6 m -100.98 165.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.76 116.03 2.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -85.09 113.69 21.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.69 152.85 18.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 32.9 t -71.96 150.43 44.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -98.49 -21.54 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -155.31 168.21 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -83.27 108.33 16.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.9 p -146.28 -175.12 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -118.95 147.42 44.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -62.82 99.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.91 -69.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 12.5 tptt -146.94 147.35 30.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 62.9 mt -111.61 75.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 78' ' ' ILE . 41.9 mt -43.81 -60.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.415 ' O ' ' NE1' ' A' ' 27' ' ' TRP . 4.1 t -91.17 118.48 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.84 -175.3 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -86.0 127.11 34.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 116.14 -25.15 9.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 37.7 m -53.17 103.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 0.795 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 11.7 mtt180 -93.45 147.15 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 t70 86.51 36.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.1 t -86.43 116.14 64.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.481 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 161.26 39.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.574 1.829 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.415 ' N ' HD11 ' A' ' 75' ' ' ILE . 3.5 mm -75.6 136.04 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.67 -20.35 47.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 110.92 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 65' ' ' LEU . 4.4 mm -40.88 127.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.2 pt -102.4 -29.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.426 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 24.8 p -169.2 172.54 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.278 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mt -122.22 155.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.5 p -128.04 142.21 51.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 m -124.54 -173.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.84 -15.44 7.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -140.23 155.46 70.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.75 15.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.91 -21.98 66.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 -23.31 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.447 ' CD1' ' HA2' ' A' ' 32' ' ' GLY . 35.8 mt -60.31 -40.09 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.15 -33.54 74.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.05 -23.11 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.7 m-85 -96.54 -22.78 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.59 76.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -117.39 153.52 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.9 p -151.66 131.67 13.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 124.05 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.29 123.77 12.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.2 t -169.26 148.9 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.8 t -52.62 -58.34 7.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.92 -62.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.73 153.31 36.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -57.54 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.25 -145.84 4.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 t 54.8 88.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.07 -58.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.996 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.11 83.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.055 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -175.93 118.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.08 122.09 0.78 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.54 113.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.044 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -124.69 103.47 8.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.524 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -147.25 -162.34 9.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.25 121.29 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -80.57 138.63 36.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -111.22 98.47 39.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.97 9.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 74' ' ' PRO . 53.7 tp -40.93 100.72 0.23 Allowed Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.36 14.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.2 p -65.24 108.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -92.35 24.32 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.14 170.0 9.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -60.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.9 p -96.13 36.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.4 ttt -75.12 117.44 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -108.37 -27.21 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.95 147.56 6.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.79 178.91 17.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -128.37 128.04 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.386 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.412 HG21 ' NE1' ' A' ' 27' ' ' TRP . 41.6 mm -67.64 90.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.04 167.48 29.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.545 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 77.2 m95 -114.28 88.74 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 108.071 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.28 -32.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -118.23 154.43 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -112.09 -172.46 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 52.8 mt-10 -78.48 120.46 23.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 89' ' ' ILE . . . 94.93 3.89 61.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.66 130.89 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.1 tttt -65.84 138.26 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.216 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 11.7 mt -123.62 132.04 72.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.44 133.29 54.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.88 122.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.17 -43.17 1.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -47.42 152.24 0.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 HD12 ' CA ' ' A' ' 52' ' ' GLY . 41.0 tp -79.14 136.85 37.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.12 -44.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -167.59 161.85 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -109.4 148.76 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.6 130.68 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.97 115.85 27.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 48' ' ' LYS . 35.4 p -117.69 158.66 24.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.12 -25.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -77.83 -48.03 17.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 48' ' ' LYS . . . 163.6 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -76.76 114.84 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.89 166.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' CA ' HD12 ' A' ' 40' ' ' LEU . . . -124.28 113.22 1.97 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -81.63 112.15 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.86 166.15 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -82.37 156.03 24.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.15 -20.27 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -154.01 161.02 42.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.17 124.35 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.3 p -171.83 -174.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 108.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 1.9 m-85 -124.56 155.94 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.5 tpp -69.49 120.39 15.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.52 -52.95 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 14.7 tptt -157.79 144.86 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 48.2 mt -110.26 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 78' ' ' ILE . 55.1 mt -43.41 -60.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.94 118.31 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.1 -179.07 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.25 139.21 38.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.35 -19.87 50.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.416 1.072 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 47.9 m -61.15 102.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 82.6 mtt180 -93.94 153.53 18.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 m-20 85.54 31.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 70' ' ' THR . 3.8 t -85.99 114.6 57.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.493 ' O ' ' CD2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 163.77 34.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.595 1.84 . . . . 0.0 111.052 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 75' ' ' ILE . 2.9 mm -77.82 131.42 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.63 -23.82 34.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.4 110.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 65' ' ' LEU . 4.9 mm -40.3 129.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.1 pt -101.35 -32.45 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.0 p -167.53 175.69 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.2 mt -125.88 155.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 81' ' ' ILE . 62.3 p -130.67 147.77 52.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.32 -172.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.46 13.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -147.57 157.37 44.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -26.21 11.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.41 -28.69 45.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.55 -28.85 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.439 ' CD1' ' HA2' ' A' ' 32' ' ' GLY . 51.4 mt -53.66 -41.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.73 -34.77 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.38 -31.3 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.524 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 9.0 m-85 -88.56 -22.75 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -49.97 -24.47 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -126.22 70.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -120.42 144.32 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.7 p -141.51 146.66 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -81.22 175.42 10.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 174.35 107.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.1 m -79.92 101.86 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -102.39 155.29 18.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.49 152.79 33.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 51.93 93.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.8 m -153.12 -59.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.08 98.31 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -36.79 2.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.551 1.816 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.78 137.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 t 55.76 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.402 1.064 . . . . 0.0 111.018 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.8 tt0 -139.68 124.19 18.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 0.777 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -83.43 139.54 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -111.32 97.76 37.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.01 122.52 7.25 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 74' ' ' PRO . 43.0 tp -39.99 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.1 Cg_endo -75.11 131.57 14.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.587 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.6 p -63.96 107.25 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.979 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.66 22.86 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.18 171.99 6.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 p -93.3 35.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.475 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.483 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.3 ttt -73.5 111.97 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -104.91 -25.68 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.3 147.64 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -130.52 -175.03 13.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HG2' ' A' ' 71' ' ' ARG . 8.1 m -135.79 128.16 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.621 HG21 ' NE1' ' A' ' 27' ' ' TRP . 50.1 mm -66.38 92.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -54.16 -63.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.58 154.03 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.621 ' NE1' HG21 ' A' ' 24' ' ' ILE . 81.6 m95 -99.55 82.32 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.54 ' HG3' HD23 ' A' ' 40' ' ' LEU . 4.2 mm-40 -38.81 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 21.3 mmtt -114.26 161.06 18.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.22 179.82 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -69.82 130.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 88.16 -9.74 73.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.72 131.74 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 2.6 tttm -71.49 135.08 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -119.25 140.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.76 144.43 50.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.03 123.66 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.36 -41.91 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -47.37 132.82 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.54 HD23 ' HG3' ' A' ' 28' ' ' GLU . 17.0 tp -63.66 126.67 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 53.2 mt -93.37 -37.48 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.566 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -177.02 166.93 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.369 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.622 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 68.6 mt-10 -111.62 144.18 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.24 136.0 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -96.65 116.64 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.441 ' C ' ' N ' ' A' ' 48' ' ' LYS . 48.9 p -122.44 156.09 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.641 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -73.99 -53.32 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.32 -174.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 m -78.68 108.28 11.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.43 165.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.22 124.04 5.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.53 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.6 t80 -90.54 115.08 27.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.15 154.18 18.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 33.5 t -71.08 158.74 35.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -176.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 59' ' ' CYS . 18.9 tt0 -74.02 143.99 45.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.402 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 1.6 p 169.99 -174.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.684 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.0 m-85 -129.36 151.34 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.5 tpp -63.3 109.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.654 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -73.18 -67.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' ILE . 4.4 tptt -148.31 146.7 28.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.2 mt -110.95 75.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.4 mt -45.49 -59.86 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 70' ' ' THR . 3.3 t -93.23 121.41 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.24 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.609 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -86.73 130.43 34.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.19 -23.86 17.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.584 HG21 HG13 ' A' ' 66' ' ' VAL . 88.5 m -54.29 102.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.561 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 61.9 mtm180 -92.44 149.27 21.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 12.6 t0 86.52 35.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.656 HG12 HD22 ' A' ' 12' ' ' LEU . 5.2 t -87.01 115.56 63.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.985 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -74.96 164.99 32.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.587 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.1 mm -79.89 132.25 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.88 -19.37 54.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.6 108.54 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 78' ' ' ILE . 5.2 mm -39.9 123.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 12' ' ' LEU . 29.9 pt -96.78 -31.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 14.0 p -165.5 177.48 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.654 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -129.82 154.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 8' ' ' GLN . 23.4 p -130.66 152.67 49.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.58 -173.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.38 -9.86 28.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.66 154.98 32.26 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.529 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -16.24 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 -33.65 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.684 HD11 ' HB2' ' A' ' 60' ' ' TYR . 97.6 mt -44.41 -55.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -51.07 7.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.23 73.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.7 m-85 -84.01 -9.2 58.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 89' ' ' ILE . 13.6 tttt -59.53 -30.61 68.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -119.18 70.89 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -117.66 144.96 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.137 . . . . 0.0 110.428 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.1 tt0 -143.22 122.0 12.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -79.16 136.93 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.8 97.81 39.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 131.1 14.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 73' ' ' VAL . 43.4 tp -46.26 104.28 0.39 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.194 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -64.75 110.12 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.0 mt -96.84 13.48 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -155.36 169.99 9.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.0 p -92.19 32.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.549 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -68.24 131.22 44.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -118.91 -35.21 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.15 147.77 11.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.83 -173.56 13.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.563 HG21 ' HG2' ' A' ' 71' ' ' ARG . 17.8 m -136.76 137.96 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.582 HG21 ' NE1' ' A' ' 27' ' ' TRP . 31.9 mm -73.51 87.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -151.24 154.18 36.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 48.2 m95 -100.73 80.52 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -37.6 -36.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -110.63 171.13 7.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -134.66 177.46 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.45 132.11 47.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.526 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 77.05 34.62 41.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -113.44 158.93 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -95.33 134.67 37.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.961 HG23 ' CG ' ' A' ' 39' ' ' ASP . 11.5 mt -123.64 131.88 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 74.5 m-20 -113.63 133.75 55.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -38.62 120.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.03 -34.26 5.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.961 ' CG ' HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -50.61 161.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD11 ' CA ' ' A' ' 52' ' ' GLY . 53.8 tp -93.21 113.6 25.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.0 mt -73.77 -50.27 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.595 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.47 169.62 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.41 158.44 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.42 134.64 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.697 ' HG3' HG23 ' A' ' 50' ' ' THR . 10.4 mt-10 -96.4 121.94 38.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -125.03 168.45 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 -23.68 2.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.7 mmpp? -80.91 -59.54 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 173.95 -174.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.697 HG23 ' HG3' ' A' ' 45' ' ' GLU . 4.3 m -77.35 116.57 18.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.48 166.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -119.7 114.99 2.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 40' ' ' LEU . 17.8 t80 -84.04 115.18 22.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 6.1 mp0 -94.41 162.67 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -81.66 153.21 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.62 -25.57 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -144.59 173.15 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.71 122.94 33.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.3 p -170.15 -171.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.635 ' HB2' HD11 ' A' ' 89' ' ' ILE . 3.1 m-85 -123.39 162.22 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -70.93 118.69 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.77 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -83.8 -63.46 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -149.05 148.68 29.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 64' ' ' ILE . 49.0 mt -113.11 76.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' A' ' 78' ' ' ILE . 39.2 mt -44.98 -59.99 2.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.501 HG13 HG21 ' A' ' 70' ' ' THR . 3.6 t -94.16 121.39 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.41 -177.05 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.07 129.71 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 112.77 -26.13 11.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.501 HG21 HG13 ' A' ' 66' ' ' VAL . 82.0 m -54.05 102.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 23' ' ' THR . 99.6 mtt180 -90.09 150.01 22.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.4 t0 83.71 40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.474 HG12 HD22 ' A' ' 12' ' ' LEU . 13.5 t -85.89 114.46 57.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.04 43.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.549 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -75.02 136.63 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.195 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.7 -16.29 61.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.573 1.171 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.41 108.03 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.539 ' HB ' HD12 ' A' ' 65' ' ' LEU . 4.1 mm -40.3 123.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.3 pt -96.45 -29.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.5 p -166.87 176.1 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 108.267 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.619 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.4 mt -129.84 155.31 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 7.1 p -128.68 160.26 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 62' ' ' ALA . 26.9 m -133.54 -170.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.07 -18.35 9.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -143.78 157.91 57.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.524 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -13.04 21.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.35 -9.4 59.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.635 HD11 ' HB2' ' A' ' 60' ' ' TYR . 70.2 mt -69.8 -53.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.5 -33.64 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.05 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 95' ' ' TYR . 2.2 m-85 -92.82 -7.05 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.38 -21.11 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -126.19 60.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.454 ' CD2' ' CE1' ' A' ' 92' ' ' PHE . 18.3 t80 -101.97 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.516 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -140.12 123.11 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -80.59 138.65 36.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -113.08 95.5 34.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.3 10.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 74' ' ' PRO . 47.2 tp -43.03 102.34 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.13 26.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.574 1.828 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 p -62.78 107.97 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.37 6.67 47.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.211 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.3 OUTLIER -149.89 165.18 18.16 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -54.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.584 1.834 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -97.15 36.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.544 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -77.36 134.34 38.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.19 -37.39 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.0 149.42 14.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.68 -173.3 13.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' HG2' ' A' ' 71' ' ' ARG . 5.2 m -139.36 137.36 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.36 91.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -63.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -148.19 150.15 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.63 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 20.0 m95 -95.34 76.27 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -39.88 -29.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 27' ' ' TRP . 31.4 mmtt -125.27 128.0 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.69 -177.34 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 62' ' ' ALA . 9.1 mt-10 -69.75 136.06 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.89 6.34 89.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 126.66 37.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -68.16 137.08 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.378 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 25.9 mt -122.23 127.11 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -107.03 138.61 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.82 119.22 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.52 -44.64 1.43 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -44.72 140.36 2.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 53' ' ' PHE . 44.5 tp -67.24 130.16 42.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mt -93.77 -45.56 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.63 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.79 166.95 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -112.72 136.48 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.2 t -117.17 133.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.54 118.92 31.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -117.05 170.31 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.33 -17.2 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mmtt -86.95 -48.9 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.46 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -76.96 110.26 11.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.19 163.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.28 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.806 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.7 t80 -84.69 120.98 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 0.799 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.8 169.24 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 44.0 t -87.44 153.85 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -157.74 170.03 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 59' ' ' CYS . 12.2 tt0 -74.97 143.64 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.419 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 1.8 p 168.5 -173.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.946 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.9 m-85 -125.36 151.41 46.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 89' ' ' ILE . 31.5 tpp -61.38 111.04 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -75.23 -65.63 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -144.82 150.53 37.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.554 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 71.9 mt -117.29 79.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.494 HD12 ' HB ' ' A' ' 78' ' ' ILE . 51.7 mt -47.38 -57.09 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.786 HG13 HG21 ' A' ' 70' ' ' THR . 6.5 t -86.15 119.8 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.66 -162.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 3.4 mt-10 -93.55 138.61 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' THR . . . 93.11 -30.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.786 HG21 HG13 ' A' ' 66' ' ' VAL . 77.3 m -36.37 104.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HG2' HG21 ' A' ' 23' ' ' THR . 16.3 mtp180 -94.75 153.28 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 m-20 78.24 50.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.402 HG12 HD22 ' A' ' 12' ' ' LEU . 7.2 t -92.78 113.46 59.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.456 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.0 Cg_endo -75.06 156.25 42.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.433 1.754 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.8 OUTLIER -73.09 141.07 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.87 -10.15 66.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 107.17 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.576 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.6 mm -40.35 120.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.508 ' HA ' HG23 ' A' ' 66' ' ' VAL . 49.1 pt -92.79 -31.17 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.4 p -166.62 174.71 8.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.527 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -128.27 156.51 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.9 p -129.06 159.21 36.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.451 ' CG2' HG12 ' A' ' 89' ' ' ILE . 2.0 m -135.7 -176.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.13 -10.46 39.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' OD2' ' A' ' 88' ' ' ASP . 1.6 ptpm? -150.47 157.54 36.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.342 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -36.94 2.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.24 -22.84 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' OD2' ' CG ' ' A' ' 85' ' ' LYS . 0.9 OUTLIER -84.38 -31.29 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.946 HD11 ' HB2' ' A' ' 60' ' ' TYR . 53.2 mt -52.94 -52.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -46.81 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.03 82.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.4 m-85 -80.67 -8.43 59.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -13.11 57.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -132.88 52.96 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.61 158.27 16.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.6 tt0 -139.57 120.79 14.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -80.5 141.72 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 t -113.01 95.36 34.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.91 130.57 13.49 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.645 HD22 HG12 ' A' ' 73' ' ' VAL . 59.1 tp -45.28 103.72 0.36 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 139.96 24.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.66 107.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.28 9.16 35.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.16 165.79 16.71 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 0.0 110.005 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.93 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.9 p -94.47 32.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.528 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -73.22 134.98 44.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.4 OUTLIER -121.1 -37.02 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.11 148.73 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.51 -173.49 13.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.584 HG21 ' HG2' ' A' ' 71' ' ' ARG . 13.9 m -139.01 130.66 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 0.809 . . . . 0.0 110.477 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' A' ' 68' ' ' GLU . 3.4 mm -66.13 92.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -53.05 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.19 154.52 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 42.5 m95 -99.37 85.59 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.09 -26.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -119.98 162.14 19.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' MET . 2.1 mmmm -128.51 -177.51 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.99 123.78 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.09 -1.91 65.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.85 135.17 34.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -74.74 136.19 41.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 15.8 mt -115.1 118.24 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.61 134.78 47.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.88 122.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.97 -37.08 3.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.19 135.16 57.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 53' ' ' PHE . 68.4 tp -62.39 144.45 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.1 mt -108.5 -42.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -173.57 151.27 1.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 23.1 mt-10 -96.65 142.13 29.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.6 134.25 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.625 ' HG3' HG23 ' A' ' 50' ' ' THR . 3.4 mt-10 -95.55 121.67 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.228 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -127.37 167.03 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.1 -21.37 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 4.9 tttp -81.03 -52.14 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.238 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.88 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.625 HG23 ' HG3' ' A' ' 45' ' ' GLU . 16.5 m -79.16 107.86 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -91.18 165.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.28 119.82 3.99 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.755 ' O ' HD12 ' A' ' 40' ' ' LEU . 7.1 t80 -86.53 116.55 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.34 165.77 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.426 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 30.2 t -78.63 156.03 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -104.01 -12.08 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -174.43 171.52 3.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.38 140.4 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 p 177.18 -171.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 108.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.744 ' CB ' HD11 ' A' ' 89' ' ' ILE . 17.8 m-85 -131.15 149.21 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.38 109.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.637 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -76.73 -67.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -149.76 148.94 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 64' ' ' ILE . 34.8 mt -113.2 77.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.434 HD12 ' HB ' ' A' ' 78' ' ' ILE . 46.2 mt -45.86 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.696 HG13 HG21 ' A' ' 70' ' ' THR . 3.4 t -91.8 117.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.35 -176.62 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.504 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.84 136.08 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.07 -19.71 45.49 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.696 HG21 HG13 ' A' ' 66' ' ' VAL . 25.7 m -56.06 102.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 0.808 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.584 ' HG2' HG21 ' A' ' 23' ' ' THR . 8.4 mtt180 -88.5 149.3 23.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 82.91 45.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.645 HG12 HD22 ' A' ' 12' ' ' LEU . 19.6 t -89.96 113.15 56.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.46 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -72.79 138.73 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.23 -14.58 61.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.84 112.76 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.5 mm -45.2 123.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 pt -97.03 -29.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.507 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 32.1 p -167.27 174.31 8.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.298 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.637 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 mt -125.62 153.37 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 p -127.97 151.67 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.572 HG22 ' HB2' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -129.81 179.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.49 -13.54 38.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 157.27 35.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.73 8.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.38 -24.42 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.35 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 60' ' ' TYR . 71.8 mt -44.26 -51.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -48.98 -42.72 38.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.2 -35.13 78.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 7.5 m-85 -83.94 -8.57 59.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 7.1 tttm -52.89 -27.24 17.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -129.2 78.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -120.4 136.38 54.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.422 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.9 tt0 -143.12 121.67 12.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 0.814 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -78.78 140.9 38.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.67 97.25 36.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.06 124.75 8.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.922 HD23 ' O ' ' A' ' 74' ' ' PRO . 62.5 tp -40.36 100.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.81 15.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.594 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.3 p -65.54 107.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 ' HB ' ' A' ' 44' ' ' VAL . 17.6 mt -91.71 23.06 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -154.8 171.46 7.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -65.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -91.7 34.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.481 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.0 ttt -73.57 112.55 9.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.27 -25.29 12.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.0 147.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.09 -178.41 15.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.566 HG21 ' HG2' ' A' ' 71' ' ' ARG . 7.3 m -134.47 125.18 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.383 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.627 HG22 ' HA ' ' A' ' 68' ' ' GLU . 38.0 mm -63.68 98.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -58.38 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.6 152.15 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 84.3 m95 -96.19 91.97 6.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.666 ' HG3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -50.05 -22.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -119.61 168.1 11.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 61' ' ' MET . 1.2 mmtt -125.14 -175.11 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.34 128.54 33.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.598 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 83.67 20.15 60.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.46 135.97 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -67.59 138.13 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 97.6 mt -120.7 119.05 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -106.23 139.33 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.22 120.57 2.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.92 -36.05 4.58 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.128 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -53.09 147.86 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.666 HD23 ' HG3' ' A' ' 28' ' ' GLU . 6.4 tp -75.82 124.37 27.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -91.11 -45.01 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 156.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 29.2 mt-10 -102.3 140.67 36.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.518 ' HB ' HD12 ' A' ' 15' ' ' LEU . 60.5 t -117.57 135.58 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.655 ' HG3' HG23 ' A' ' 50' ' ' THR . 9.8 mt-10 -99.02 115.01 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.3 p -117.88 167.3 11.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.051 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.59 -22.44 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 7.3 tttt -80.24 -52.43 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 168.17 -174.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.655 HG23 ' HG3' ' A' ' 45' ' ' GLU . 23.5 m -80.14 111.51 16.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.137 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.1 t -92.79 165.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -122.13 115.44 2.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.2 t80 -81.29 108.54 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 0.758 . . . . 0.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -91.89 144.28 25.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -67.31 136.19 54.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -111.12 19.49 18.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -165.29 -175.85 3.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.26 109.03 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 p -156.5 -173.89 4.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -119.32 150.22 40.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -62.49 99.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -68.0 -69.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -147.24 151.44 36.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.4 mt -115.52 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.4 mt -46.25 -59.3 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.689 HG13 HG21 ' A' ' 70' ' ' THR . 5.3 t -90.53 118.08 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 -171.98 3.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.28 -20.06 28.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.689 HG21 HG13 ' A' ' 66' ' ' VAL . 18.2 m -54.82 103.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.737 . . . . 0.0 110.382 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' HG21 ' A' ' 23' ' ' THR . 77.2 mtm180 -93.16 147.55 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 7.8 t0 86.23 37.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.361 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.74 HG12 HD22 ' A' ' 12' ' ' LEU . 3.3 t -89.13 114.71 61.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.922 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.96 164.15 33.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.594 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.0 mm -79.08 130.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.9 -20.46 47.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 109.36 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 0.816 . . . . 0.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -39.73 129.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 39.8 pt -104.77 -27.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.464 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 31.2 p -169.37 173.1 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -125.69 156.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.8 p -129.04 151.22 49.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 ' HB3' ' A' ' 88' ' ' ASP . 5.0 m -134.0 -172.49 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.83 -12.49 10.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -145.69 154.96 52.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -15.46 20.74 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.533 1.807 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.67 -23.62 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.497 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -92.44 -23.31 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.598 HD13 ' HA2' ' A' ' 32' ' ' GLY . 33.1 mt -59.41 -41.14 83.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -34.15 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.2 -31.36 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' CE1' HG21 ' A' ' 81' ' ' ILE . 2.8 m-85 -86.5 -25.85 24.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -37.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -114.57 69.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.405 ' C ' HG23 ' A' ' 96' ' ' THR . 82.2 t80 -114.19 151.5 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.405 HG23 ' C ' ' A' ' 95' ' ' TYR . 30.6 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.1 tt0 -129.93 127.59 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -80.43 136.3 36.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.52 97.16 35.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.33 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.514 HD22 HG12 ' A' ' 73' ' ' VAL . 42.4 tp -46.89 104.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.69 28.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.43 108.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -94.63 13.24 24.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.03 169.24 10.58 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -62.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.565 1.824 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.0 p -94.02 33.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -68.56 134.58 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.9 OUTLIER -121.35 -37.36 2.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.5 145.83 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -171.76 13.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.577 HG21 ' HG2' ' A' ' 71' ' ' ARG . 18.1 m -137.47 138.17 39.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.865 HG21 ' NE1' ' A' ' 27' ' ' TRP . 4.5 mm -75.84 85.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.32 -65.41 0.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 156.6 41.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.865 ' NE1' HG21 ' A' ' 24' ' ' ILE . 73.7 m95 -105.06 80.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -38.63 -32.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 24.4 mmtt -122.87 136.22 54.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -105.0 -170.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.92 134.46 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.04 80.34 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.88 139.19 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttm -79.76 137.59 37.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.475 HG21 HG12 ' A' ' 41' ' ' ILE . 18.3 mt -118.15 98.11 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -77.8 133.45 38.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.64 124.9 1.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.41 -34.28 5.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.19 150.73 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 53' ' ' PHE . 57.5 tp -77.7 122.22 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG12 HG21 ' A' ' 35' ' ' ILE . 30.0 mt -84.12 -44.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.29 164.5 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -107.39 156.58 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.1 t -133.51 137.17 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.33 121.43 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.3 p -127.26 165.02 20.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -22.72 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -79.86 -52.19 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -79.5 111.48 15.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.96 163.5 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.4 108.16 1.24 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.699 ' O ' HD12 ' A' ' 40' ' ' LEU . 12.5 t80 -75.32 117.57 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.85 164.76 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -94.33 144.38 25.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.7 mt -117.98 17.16 14.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.2 172.17 17.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.3 120.07 41.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 p -170.95 -173.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -123.44 151.37 42.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -61.6 115.29 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.954 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.682 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -78.79 -65.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 31.1 tptt -148.2 148.82 30.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 64' ' ' ILE . 60.0 mt -112.34 75.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.491 HD12 ' HB ' ' A' ' 78' ' ' ILE . 51.0 mt -41.73 -61.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.481 HG13 HG21 ' A' ' 70' ' ' THR . 2.7 t -95.77 119.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.57 -174.46 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -86.85 128.54 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -30.63 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.481 HG21 HG13 ' A' ' 66' ' ' VAL . 26.6 m -53.12 101.94 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HG2' HG21 ' A' ' 23' ' ' THR . 8.1 mtm180 -88.68 149.4 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t70 85.93 40.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG12 HD22 ' A' ' 12' ' ' LEU . 20.7 t -84.95 114.15 54.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.95 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -73.09 139.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 -17.79 51.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 108.96 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.539 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.9 mm -39.54 132.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 pt -105.87 -29.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.1 p -167.16 174.96 7.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.682 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -129.91 154.6 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.3 p -126.77 155.32 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.2 -173.65 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.56 -13.69 29.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -150.36 158.34 36.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.01 -26.14 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.48 -19.89 64.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -33.71 20.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 93' ' ' LYS . 68.6 mt -46.11 -55.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -45.63 -44.75 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.77 79.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.4 m-85 -86.2 -6.98 58.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.9 ttpt -58.75 -32.55 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -115.86 68.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -116.82 145.22 43.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.6 tt0 -123.07 127.28 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.35 135.19 35.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.7 t -110.39 98.92 38.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 126.08 9.76 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.562 1.822 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.963 HD23 ' O ' ' A' ' 74' ' ' PRO . 49.9 tp -41.58 101.22 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.624 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.7 p -66.23 108.05 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -153.97 169.4 10.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 p -97.08 37.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.468 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.474 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.5 ttt -78.16 112.61 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -105.09 -24.86 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.35 145.92 5.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.55 -175.8 14.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.524 HG21 ' HG2' ' A' ' 71' ' ' ARG . 7.1 m -134.69 133.6 40.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 110.406 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.632 HG21 ' NE1' ' A' ' 27' ' ' TRP . 47.8 mm -71.79 90.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.99 -63.96 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.79 156.26 39.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.632 ' NE1' HG21 ' A' ' 24' ' ' ILE . 50.7 m95 -104.28 79.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 16.4 tp10 -38.11 -32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' TRP . 46.0 mmtt -111.52 164.54 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -130.11 178.53 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.69 122.16 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.477 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 83.95 37.61 11.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.78 123.19 41.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -61.35 132.79 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.03 104.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -82.5 129.74 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.81 123.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.402 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 104.86 -38.9 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.46 151.44 3.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 53' ' ' PHE . 58.7 tp -77.98 130.71 36.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -91.59 -47.94 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -170.98 161.99 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.85 157.54 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -137.61 136.32 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.2 mt-10 -98.67 122.63 42.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 p -127.34 165.62 19.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.52 -22.31 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -81.02 -52.03 7.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.26 -175.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.537 HG23 ' HG3' ' A' ' 45' ' ' GLU . 7.5 m -79.07 112.76 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.02 165.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.61 110.58 1.51 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.694 ' O ' HD12 ' A' ' 40' ' ' LEU . 16.8 t80 -78.3 112.97 15.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 24.0 mt-10 -92.79 169.33 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -95.95 137.16 35.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.937 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -109.24 12.86 24.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.33 169.73 20.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -102.49 122.15 43.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -170.87 -173.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.617 ' HB2' HD11 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -127.0 157.1 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.968 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.8 tpp -66.23 112.83 4.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.525 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -80.04 -59.44 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -149.55 147.69 28.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 64' ' ' ILE . 41.7 mt -113.42 79.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.8 mt -50.22 -57.6 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 70' ' ' THR . 2.9 t -96.73 123.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.16 -176.44 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.602 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -83.7 128.21 34.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 114.93 -29.84 7.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.57 HG21 HG13 ' A' ' 66' ' ' VAL . 59.2 m -49.21 102.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 69.1 mtt180 -92.23 149.44 21.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.0 t70 85.88 36.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.7 HG12 HD22 ' A' ' 12' ' ' LEU . 3.9 t -87.21 115.1 61.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.963 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.95 164.67 32.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.556 1.819 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.6 mm -80.64 129.93 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.51 -20.98 42.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.13 109.68 3.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -39.89 129.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 49.7 pt -100.11 -33.65 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 24.7 p -166.28 175.26 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.4 mt -128.45 154.55 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 p -134.6 155.58 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.08 -179.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.9 -11.97 41.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 155.71 67.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -17.94 19.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.15 -25.52 58.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.7 -16.74 58.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' ' 60' ' ' TYR . 40.7 mt -65.19 -53.27 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.97 -29.68 43.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.78 -21.23 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 1.5 m-85 -102.66 -11.2 18.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 3.4 tttm -52.87 -21.53 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -126.04 71.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -120.22 142.63 48.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.3 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 110.377 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.4 tt0 -124.02 125.99 45.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -80.1 139.19 36.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.45 96.49 36.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.14 11.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.771 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.61 103.35 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.14 32.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.8 p -64.34 110.14 2.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.6 mt -97.32 9.86 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.68 169.35 9.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.977 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -90.79 32.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.552 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -71.19 129.54 39.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -117.91 -32.59 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.63 150.61 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.74 -175.89 14.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.596 HG21 ' HG2' ' A' ' 71' ' ' ARG . 12.4 m -137.68 127.51 25.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.611 HG21 ' NE1' ' A' ' 27' ' ' TRP . 22.2 mm -63.29 87.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.25 -64.88 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.67 150.9 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.621 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 53.8 m95 -97.39 79.91 2.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.29 -35.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -114.52 152.86 31.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -118.39 179.24 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.29 130.83 44.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.37 16.97 67.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.2 128.9 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 0.717 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -68.07 136.27 53.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -121.01 117.86 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 1.6 m120 -100.57 134.4 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 1.6 tm-20 -38.92 119.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 -29.75 10.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.43 132.71 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 53' ' ' PHE . 42.3 tp -61.15 122.57 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.5 -47.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -171.87 162.61 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.75 138.08 44.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 94.1 t -120.6 136.5 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.653 ' HG3' HG23 ' A' ' 50' ' ' THR . 2.5 mt-10 -96.35 115.81 28.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 51' ' ' VAL . 38.0 p -109.33 167.88 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -54.63 -19.79 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 8.1 tttt -84.49 -55.5 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 175.05 -173.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.226 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.653 HG23 ' HG3' ' A' ' 45' ' ' GLU . 4.7 m -75.56 118.66 18.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -107.09 147.1 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.33 125.71 8.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.419 ' O ' HD12 ' A' ' 40' ' ' LEU . 5.5 t80 -94.11 109.89 21.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.12 158.6 16.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -84.0 147.71 27.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.6 mt -116.07 15.68 16.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -162.93 -179.33 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -113.18 124.42 52.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 p -177.03 -173.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.561 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.2 m-85 -120.63 157.13 30.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.75 114.44 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.656 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -78.26 -64.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -148.37 148.9 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 64' ' ' ILE . 39.2 mt -113.32 74.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.442 HD12 ' HB ' ' A' ' 78' ' ' ILE . 42.7 mt -41.9 -61.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG13 HG21 ' A' ' 70' ' ' THR . 3.2 t -93.43 118.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.37 -177.39 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.517 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.14 127.73 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.229 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 115.97 -28.17 7.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.565 HG21 HG13 ' A' ' 66' ' ' VAL . 52.1 m -52.29 101.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' HG21 ' A' ' 23' ' ' THR . 53.2 mtm180 -88.27 149.05 24.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER 84.31 43.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.6 t -88.35 114.44 59.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.16 42.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.552 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -76.32 133.48 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.58 -12.38 66.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ILE . . . -74.88 108.26 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.567 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.7 mm -39.86 124.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 pt -97.38 -33.72 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 25.0 p -163.08 175.04 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 108.368 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.656 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -129.23 156.11 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 p -129.22 152.1 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.4 -172.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.57 -23.7 10.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.93 64.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -23.31 13.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.13 -16.7 63.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -89.44 -33.73 16.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 60' ' ' TYR . 59.7 mt -46.23 -52.9 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -48.11 -33.56 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 88' ' ' ASP . . . -73.46 -34.43 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.377 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' ILE . 22.7 m-85 -86.49 -13.25 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -49.54 -28.52 5.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -124.49 70.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -114.04 142.45 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.468 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.3 tt0 -143.96 123.15 12.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -79.3 141.0 37.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.7 t -111.97 96.93 36.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.04 9.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.001 HD23 ' O ' ' A' ' 74' ' ' PRO . 32.7 tp -42.11 101.45 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.97 131.25 14.12 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.659 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.9 p -65.69 108.58 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.03 22.76 4.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.6 170.03 8.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.511 1.795 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.54 33.46 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.475 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.0 ttt -71.93 115.83 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -108.37 -26.92 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.6 1.187 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.15 147.24 6.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.87 -179.71 16.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 71' ' ' ARG . 4.1 m -131.0 125.52 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.666 HG21 ' NE1' ' A' ' 27' ' ' TRP . 48.5 mm -64.77 91.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -54.25 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 152.51 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 65.6 m95 -99.23 85.02 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -42.34 -29.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -117.27 151.06 37.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -176.83 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.95 124.14 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.594 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 98.01 -28.27 15.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 134.16 55.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 2.7 tttm -75.98 136.49 40.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.3 117.28 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.36 143.34 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -40.67 123.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.31 -29.71 10.88 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.5 119.74 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 53' ' ' PHE . 50.5 tp -49.8 134.36 20.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 55' ' ' SER . 76.0 mt -98.89 -42.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.736 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -174.6 159.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 33.6 mt-10 -105.63 146.97 28.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.222 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.1 t -128.42 136.61 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.57 118.09 30.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -119.74 163.93 16.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -23.16 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.673 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.28 -49.13 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 164.33 -174.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.1 m -77.19 111.81 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.49 165.95 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.01 113.34 2.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 40' ' ' LEU . 13.9 t80 -83.62 113.56 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -94.48 168.65 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.466 ' CB ' HD11 ' A' ' 41' ' ' ILE . 23.1 t -89.28 152.9 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -97.37 -24.5 15.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -144.13 -177.19 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.51 118.46 33.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.97 -176.65 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE1' ' HD2' ' A' ' 34' ' ' LYS . 22.0 m-85 -121.5 148.88 43.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.411 ' SD ' HD11 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -61.5 98.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.702 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -68.02 -69.64 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 35.5 tptt -145.58 145.63 31.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 64' ' ' ILE . 52.4 mt -110.48 76.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.6 mt -44.38 -60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 70' ' ' THR . 3.8 t -93.83 120.23 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -175.6 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.558 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.66 131.12 34.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.72 -25.31 13.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.145 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.628 HG21 HG13 ' A' ' 66' ' ' VAL . 22.4 m -55.2 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 13.8 mtm-85 -92.48 149.22 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.5 t70 87.23 35.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG12 HD22 ' A' ' 12' ' ' LEU . 3.1 t -87.75 115.66 63.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 1.001 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.08 164.76 32.58 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.8 mm -79.86 132.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.07 -14.88 63.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.12 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.6 108.33 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.529 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.1 mm -39.88 125.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.418 HG23 ' HB2' ' A' ' 12' ' ' LEU . 13.1 pt -102.43 -27.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 p -168.7 174.97 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 108.227 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -126.69 156.29 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLN . 70.4 p -134.71 137.16 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.702 HG13 ' HB2' ' A' ' 62' ' ' ALA . 30.5 m -111.01 172.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.55 -21.35 34.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.576 1.173 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.58 155.28 79.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.781 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -12.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.42 -20.95 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.23 3.31 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.594 HD13 ' HA2' ' A' ' 32' ' ' GLY . 72.9 mt -73.89 -37.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -73.08 -29.61 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.65 68.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.2 m-85 -101.44 -12.84 18.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -43.79 -28.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 92' ' ' PHE . 3.3 p30 -126.66 74.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -115.91 144.25 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.567 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.8 tt0 -137.61 126.73 24.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 0.704 . . . . 0.0 110.237 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -78.02 137.35 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.4 t -113.36 95.17 34.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.61 13.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.588 HD22 HG12 ' A' ' 73' ' ' VAL . 40.9 tp -47.12 104.84 0.43 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.91 30.74 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -64.39 109.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 mt -95.9 13.87 25.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -157.3 167.64 14.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.058 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.98 -59.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -94.17 32.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.545 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -72.02 130.98 42.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -119.29 -34.53 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.2 148.23 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.56 -171.79 13.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.561 1.163 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.56 HG21 ' HG2' ' A' ' 71' ' ' ARG . 14.6 m -139.94 137.33 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' A' ' 68' ' ' GLU . 39.1 mm -73.27 95.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -56.42 -62.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -157.31 144.85 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 60.4 m95 -88.32 83.61 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.044 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -39.61 -33.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -111.33 174.28 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -132.56 177.21 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.68 129.39 38.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.451 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 81.72 38.19 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.16 169.16 9.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' CE ' ' OE2' ' A' ' 58' ' ' GLU . 1.6 tttm -103.17 136.42 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.408 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 7.2 mt -124.27 133.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 4.0 m120 -119.25 136.87 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -38.06 118.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.89 6.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.11 137.05 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 53' ' ' PHE . 39.7 tp -67.12 117.78 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.5 mt -83.71 -37.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -179.19 164.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 14.7 mt-10 -108.3 144.89 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.15 133.46 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.523 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.3 mt-10 -92.75 119.34 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.411 ' H ' ' HG1' ' A' ' 46' ' ' THR . 13.3 p -121.53 165.87 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -22.04 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.02 -51.46 8.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.93 -174.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.523 HG23 ' HG3' ' A' ' 45' ' ' GLU . 10.1 m -76.9 111.77 12.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.19 164.36 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.26 107.47 1.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.493 ' O ' HD12 ' A' ' 40' ' ' LEU . 27.3 t80 -76.38 114.3 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.72 164.88 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -86.21 156.72 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.25 -19.68 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.446 ' OE2' ' CE ' ' A' ' 34' ' ' LYS . 14.8 tt0 -102.12 107.22 18.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p -151.68 -173.28 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.348 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -120.07 152.84 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.18 126.16 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.501 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -94.57 -62.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -147.16 147.08 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 64' ' ' ILE . 55.2 mt -112.87 75.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD12 ' HB ' ' A' ' 78' ' ' ILE . 62.6 mt -45.35 -58.67 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.617 HG13 HG21 ' A' ' 70' ' ' THR . 2.2 t -97.13 122.09 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.61 -172.22 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.504 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -87.71 132.79 34.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 107.5 -23.82 25.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.617 HG21 HG13 ' A' ' 66' ' ' VAL . 27.1 m -54.82 102.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.56 ' HG2' HG21 ' A' ' 23' ' ' THR . 28.1 mtm105 -89.3 149.55 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 9.0 t0 84.17 44.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.588 HG12 HD22 ' A' ' 12' ' ' LEU . 34.6 t -90.21 114.27 60.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 156.34 43.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.545 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -74.34 140.06 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.79 -13.56 62.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.75 108.74 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.572 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.5 mm -40.32 126.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 pt -97.4 -29.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -169.98 174.83 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -128.62 156.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 p -127.6 153.48 46.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.9 m -127.73 -172.19 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.07 -27.38 3.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.88 157.26 72.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.394 0.702 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.539 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.16 -23.84 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -81.82 -4.58 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 98.6 mt -69.42 -58.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -28.21 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.69 60.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.6 m-85 -104.18 -18.83 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -51.3 -22.44 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -127.76 74.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.239 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.31 138.69 53.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.7 tt0 -143.62 121.81 12.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 110.301 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -80.87 136.73 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.28 98.09 38.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.26 7.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.888 HD22 HG12 ' A' ' 73' ' ' VAL . 53.4 tp -41.19 100.89 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 132.87 16.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.714 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.7 p -67.54 109.13 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.2 25.34 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -154.5 172.0 6.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.993 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -62.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 p -98.11 40.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.473 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 5.2 ttt -80.54 118.61 22.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -109.76 -22.89 11.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.0 146.6 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 173.56 19.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.433 HG23 ' HG2' ' A' ' 71' ' ' ARG . 85.1 m -122.59 127.48 49.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.457 HG13 ' CG1' ' A' ' 66' ' ' VAL . 13.5 mm -71.65 88.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -47.83 -64.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 4.4 mpp_? -146.68 170.14 17.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 37.8 m95 -114.3 80.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.79 -35.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -113.97 167.59 10.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -133.88 179.09 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.48 121.0 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.28 49.73 4.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.98 124.43 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.799 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 2.3 tttm -62.51 137.64 58.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.423 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 4.6 mt -124.05 142.4 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.362 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -122.57 134.6 54.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.2 125.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.4 -18.98 56.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.75 126.44 29.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.02 115.9 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mt -80.24 -46.99 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.587 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -165.97 164.35 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 14.8 mt-10 -108.44 137.63 46.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.0 t -119.14 130.54 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -91.28 117.18 29.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 46' ' ' THR . 19.1 p -118.47 166.81 12.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.26 -21.15 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.67 -51.54 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.94 -174.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.4 m -77.5 111.71 13.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.39 163.89 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.06 105.19 0.96 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -76.04 111.18 11.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 0.707 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.84 151.59 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -66.67 150.07 49.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -101.3 -18.04 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -144.3 178.66 7.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -101.13 98.62 9.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.218 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 p -146.4 -174.37 4.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.521 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.1 m-85 -120.87 157.1 30.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.2 tpp -65.78 112.88 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -82.7 -61.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.2 tptm -144.78 150.99 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 64' ' ' ILE . 20.7 mt -120.25 91.52 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD12 ' HB ' ' A' ' 78' ' ' ILE . 25.0 mt -61.09 -58.42 8.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 79' ' ' ILE . 20.5 t -80.49 122.63 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.49 -160.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -94.6 136.01 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.83 2.06 69.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.424 ' HB ' HG12 ' A' ' 66' ' ' VAL . 51.6 m -65.11 107.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -98.55 167.02 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.9 t70 81.81 28.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.888 HG12 HD22 ' A' ' 12' ' ' LEU . 8.7 t -87.88 113.44 54.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.862 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.0 161.35 38.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.7 mm -75.79 132.23 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.37 -21.23 47.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.11 110.21 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.519 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -40.54 129.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.573 ' HA ' HG23 ' A' ' 66' ' ' VAL . 27.3 pt -99.31 -42.1 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.3 p -158.85 169.12 25.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.4 mt -122.35 154.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -129.67 146.89 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 88' ' ' ASP . 3.2 m -124.37 -174.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.21 -8.26 27.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -149.73 157.57 38.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -26.18 11.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.93 -25.17 63.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.523 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -91.94 -23.59 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.521 HD11 ' HB2' ' A' ' 60' ' ' TYR . 44.5 mt -60.35 -37.5 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.85 -34.98 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.26 -31.32 62.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -88.8 -17.97 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -21.35 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -125.35 70.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -120.32 136.55 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.493 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.9 tt0 -141.27 121.84 14.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -79.36 137.87 37.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 57.6 t -110.21 98.9 37.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.031 HD23 ' O ' ' A' ' 74' ' ' PRO . 14.3 tp -43.65 102.44 0.28 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 131.24 14.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 111.032 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.651 ' HB3' HG21 ' A' ' 75' ' ' ILE . 85.7 p -65.9 108.69 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -92.18 24.71 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.95 166.66 15.89 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 p -102.77 38.94 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.587 1.179 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.467 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 4.8 ttt -83.25 112.93 20.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -104.56 -25.02 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.05 145.21 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.22 -176.75 14.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.432 HG21 ' HG2' ' A' ' 71' ' ' ARG . 12.1 m -133.71 130.11 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.665 HG21 ' NE1' ' A' ' 27' ' ' TRP . 41.8 mm -67.75 89.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.08 -63.62 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.52 157.5 39.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.665 ' NE1' HG21 ' A' ' 24' ' ' ILE . 63.9 m95 -104.7 78.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.076 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' TRP . 35.9 mmtt -111.61 164.76 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.243 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -129.55 179.54 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.09 126.44 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.522 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 88.1 5.27 76.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.23 132.17 34.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -69.77 135.84 50.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.04 104.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 30.1 m-80 -90.31 132.8 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -38.39 120.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 -42.8 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.3 153.69 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 53' ' ' PHE . 60.2 tp -80.48 128.62 33.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.3 mt -87.09 -44.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.553 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -174.81 167.82 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.42 160.3 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.6 t -140.3 135.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.349 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.75 125.42 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.9 p -125.96 173.9 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.51 -18.11 26.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 9.1 mptt -87.04 -57.04 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 174.22 -175.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -79.32 112.27 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.46 164.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.58 109.9 1.84 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.687 ' O ' HD12 ' A' ' 40' ' ' LEU . 9.1 t80 -79.95 112.06 16.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 0.71 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 167.53 12.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -90.7 135.7 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.5 mt -109.88 19.68 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -168.64 172.33 8.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.26 127.62 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p 179.83 -173.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.751 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.5 m-85 -125.47 152.85 44.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.2 tpp -61.47 106.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.598 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -73.21 -63.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -150.16 148.44 28.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 64' ' ' ILE . 67.5 mt -112.61 75.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.0 mt -44.34 -60.21 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 70' ' ' THR . 3.2 t -93.81 116.11 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.56 -176.32 5.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -82.69 131.55 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.25 -28.01 10.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.615 HG21 HG13 ' A' ' 66' ' ' VAL . 52.2 m -53.42 101.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 0.719 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 22.5 mtp180 -90.97 151.22 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 84.82 38.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.546 HG12 HD22 ' A' ' 12' ' ' LEU . 3.7 t -90.37 114.08 59.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 1.031 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.67 32.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.651 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.5 mm -80.39 130.39 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.45 -18.66 53.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.05 109.09 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.525 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.2 mm -40.04 128.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.487 ' HA ' HG23 ' A' ' 66' ' ' VAL . 38.1 pt -102.74 -32.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.9 p -162.0 173.32 14.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -126.11 156.32 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 p -129.79 144.49 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -120.53 -172.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.07 -12.37 27.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.5 157.48 33.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.653 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -29.17 8.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.08 -21.82 47.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.61 -35.42 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.751 HD11 ' HB2' ' A' ' 60' ' ' TYR . 95.3 mt -41.06 -53.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -45.93 -50.29 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 22.8 m-85 -81.61 -9.51 59.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -32.17 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -118.58 71.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -116.08 148.59 40.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.0 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 tt0 -144.04 124.18 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -80.28 135.93 36.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.93 98.09 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.88 124.18 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.961 HD23 ' O ' ' A' ' 74' ' ' PRO . 51.2 tp -40.07 100.16 0.21 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -75.04 131.7 14.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.624 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.8 p -65.49 107.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -91.39 22.38 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -152.27 171.34 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -63.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 p -93.69 34.44 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.481 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.5 ttt -72.7 112.25 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.76 -24.41 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.51 151.11 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.74 -175.21 13.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.495 HG21 ' HG2' ' A' ' 71' ' ' ARG . 6.1 m -136.0 130.51 33.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 110.447 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.652 HG21 ' NE1' ' A' ' 27' ' ' TRP . 37.8 mm -68.87 89.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -51.59 -64.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.65 157.51 43.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.694 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 50.3 m95 -105.56 80.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' TRP . 18.8 tp10 -37.92 -36.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 34' ' ' LYS . 27.8 mmtt -112.03 162.84 14.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -128.38 175.05 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.94 130.8 44.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.48 27.22 57.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.92 143.23 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 1.5 tttm -78.02 136.3 37.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 21.1 mt -124.17 140.64 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -126.98 137.58 53.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.05 121.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -43.49 1.66 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -50.71 123.61 9.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 53' ' ' PHE . 60.8 tp -53.76 137.85 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 35.8 mt -102.35 -42.42 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.694 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -171.65 160.97 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 27.0 mt-10 -105.81 155.8 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.72 128.89 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.01 115.72 26.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 48' ' ' LYS . 26.3 p -118.62 160.48 21.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.56 -25.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.634 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mttt -78.01 -52.39 8.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.366 1.041 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 168.0 -174.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.8 m -76.77 112.93 13.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.56 164.95 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.88 105.97 0.8 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.585 1.178 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.847 ' O ' HD12 ' A' ' 40' ' ' LEU . 23.2 t80 -74.31 119.48 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 0.731 . . . . 0.0 111.051 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.88 162.18 14.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.439 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 12.6 t -76.26 145.06 39.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.21 -30.33 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -174.06 178.03 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -57.17 142.47 42.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.4 p 170.39 -174.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.903 ' HB2' HD11 ' A' ' 89' ' ' ILE . 3.9 m-85 -139.61 152.52 46.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.9 tpp -65.08 121.15 14.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.659 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -89.91 -62.53 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -147.61 148.07 30.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 64' ' ' ILE . 52.4 mt -113.91 76.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.3 mt -47.46 -58.22 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.556 HG13 HG21 ' A' ' 70' ' ' THR . 2.6 t -96.63 123.58 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.09 179.73 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.61 129.71 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 110.356 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 113.17 -29.59 7.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.556 HG21 HG13 ' A' ' 66' ' ' VAL . 71.6 m -51.32 102.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 44.4 mtp180 -91.83 151.31 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER 85.44 34.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.799 HG12 HD22 ' A' ' 12' ' ' LEU . 5.9 t -84.17 114.9 57.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.961 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.06 36.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.7 mm -79.63 130.84 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.28 -17.03 57.5 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.68 109.15 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.533 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.0 mm -40.3 126.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 47.0 pt -97.62 -33.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.0 p -166.18 174.71 8.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -127.21 156.74 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 58.9 p -132.87 160.91 35.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.659 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.4 m -131.11 -171.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.65 -14.58 17.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -142.71 158.53 59.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.576 0.81 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -76.93 -45.57 27.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.99 -21.1 65.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.903 HD11 ' HB2' ' A' ' 60' ' ' TYR . 16.8 mt -58.6 -49.98 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.63 -33.95 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.61 -17.35 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.0 m-85 -104.9 -14.21 15.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -54.37 -22.2 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -127.39 73.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -121.15 146.37 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -143.5 122.2 12.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -80.47 137.21 36.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.414 HG11 ' HE2' ' A' ' 53' ' ' PHE . 42.7 t -110.6 98.91 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.94 123.82 8.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.978 HD23 ' O ' ' A' ' 74' ' ' PRO . 24.4 tp -40.22 100.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.51 12.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.579 1.831 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.622 ' HB3' HG21 ' A' ' 75' ' ' ILE . 80.5 p -63.27 108.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -92.06 23.68 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.03 169.48 10.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -61.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.6 p -91.79 31.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.48 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 1.9 ttt -71.21 111.79 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.3 -25.68 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.15 151.11 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.13 -175.19 13.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.563 HG21 ' HG2' ' A' ' 71' ' ' ARG . 16.4 m -135.71 131.79 36.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 0.767 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.623 HG22 ' HA ' ' A' ' 68' ' ' GLU . 50.8 mm -69.53 90.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -51.83 -63.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -156.9 159.09 37.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 74.8 m95 -105.08 84.7 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.883 ' HG3' HD23 ' A' ' 40' ' ' LEU . 1.3 mm-40 -39.35 -32.99 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -114.45 167.29 10.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.54 -178.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -72.17 126.61 30.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.756 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 93.56 -17.38 58.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.87 146.77 54.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttt -81.59 138.16 35.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.426 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 40.5 mt -123.3 120.92 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -108.46 141.47 40.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.27 124.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.94 -41.49 2.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.38 127.41 15.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 0.794 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.883 HD23 ' HG3' ' A' ' 28' ' ' GLU . 14.6 tp -58.04 134.16 56.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.6 mt -100.46 -35.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.654 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -177.56 169.31 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 54.5 mt-10 -116.62 143.06 46.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.67 134.55 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -95.56 113.66 25.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.5 p -116.43 162.41 17.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -26.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.661 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 16.6 tttt -76.53 -51.02 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 165.71 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.5 m -76.83 113.63 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.26 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.541 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -122.85 114.35 2.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.598 ' O ' HD12 ' A' ' 40' ' ' LEU . 4.1 t80 -80.92 117.37 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.05 153.32 19.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.258 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.401 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 27.4 t -66.22 158.04 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.085 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -97.9 -20.6 17.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -179.97 175.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.7 135.72 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.6 p 179.9 -170.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.81 ' CB ' HD11 ' A' ' 89' ' ' ILE . 4.5 m-85 -134.58 147.79 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.53 102.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.606 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -68.37 -68.84 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -147.97 150.6 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 64' ' ' ILE . 67.3 mt -115.01 75.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.193 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.6 mt -44.96 -59.83 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.701 HG13 HG21 ' A' ' 70' ' ' THR . 3.3 t -91.99 119.81 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.23 -177.29 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 24' ' ' ILE . 4.0 pm0 -83.63 133.77 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.88 -22.8 27.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.701 HG21 HG13 ' A' ' 66' ' ' VAL . 17.8 m -53.55 102.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 23' ' ' THR . 94.7 mtt180 -91.98 149.56 21.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 t0 82.26 40.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 12' ' ' LEU . 4.6 t -89.44 116.82 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.978 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.7 Cg_endo -74.95 161.63 38.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.1 mm -77.62 134.94 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.31 -20.69 49.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.04 109.22 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.488 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.7 mm -40.45 126.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 12' ' ' LEU . 27.9 pt -99.71 -29.02 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 30.9 p -168.97 173.79 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.246 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.606 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -125.29 156.47 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 p -128.35 153.05 47.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -131.78 176.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.94 -1.56 48.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 14.2 pttm -160.91 157.63 23.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.591 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -31.29 6.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.11 -25.39 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.29 -37.78 16.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.81 HD11 ' CB ' ' A' ' 60' ' ' TYR . 95.8 mt -42.63 -51.97 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.22 72.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.6 m-85 -86.5 -8.47 57.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -58.69 -36.32 74.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -113.01 70.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.4 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -115.74 143.25 45.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.4 tt0 -142.69 122.19 13.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -79.88 138.57 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.8 t -112.4 96.35 35.44 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 74' ' ' PRO . 57.7 tp -42.86 102.06 0.26 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CG ' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.06 132.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.655 ' HB3' HG21 ' A' ' 75' ' ' ILE . 84.1 p -66.68 108.79 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.87 23.67 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -158.29 166.47 16.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -55.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.3 p -95.8 32.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.462 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.9 ttt -78.14 110.46 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -102.45 -25.3 13.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.61 149.39 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -179.56 16.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.501 HG21 ' HG2' ' A' ' 71' ' ' ARG . 3.3 m -134.83 123.66 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.54 103.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.53 -60.69 2.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -147.32 155.21 41.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 10.7 m95 -97.25 78.22 2.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -33.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -120.79 159.99 24.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -127.97 174.64 9.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.49 125.21 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.0 42.48 8.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.1 tttm -69.27 137.34 53.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.9 mt -124.39 147.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.25 134.16 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.89 121.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.74 -40.91 2.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.89 138.08 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 53' ' ' PHE . 61.9 tp -62.99 136.94 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 55' ' ' SER . 15.3 mt -103.93 -39.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.579 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -172.33 153.67 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HD21 ' A' ' 40' ' ' LEU . 6.2 mt-10 -105.07 141.56 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.9 t -124.07 145.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.78 117.86 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.41 ' H ' ' HG1' ' A' ' 46' ' ' THR . 13.6 p -114.42 169.02 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.322 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.63 -18.52 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.645 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.98 -49.8 7.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.26 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -77.12 113.9 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.512 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.92 165.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.21 110.49 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.74 ' O ' HD12 ' A' ' 40' ' ' LEU . 25.5 t80 -80.47 115.72 20.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -92.03 161.4 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' ' 41' ' ' ILE . 38.6 t -71.91 150.15 44.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.97 -14.04 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.397 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -176.65 168.16 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.03 129.85 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.406 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -176.1 176.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 108.355 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -121.82 147.54 45.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -61.39 117.62 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.736 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -86.11 -54.25 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 9.3 tptt -154.33 149.48 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.527 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 72.8 mt -116.45 84.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 78' ' ' ILE . 41.0 mt -51.58 -57.47 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.078 HG13 HG21 ' A' ' 70' ' ' THR . 12.3 t -83.83 132.55 31.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.41 -157.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 3.0 mt-10 -100.34 134.25 43.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 -0.28 84.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 1.078 HG21 HG13 ' A' ' 66' ' ' VAL . 39.5 m -56.28 102.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 8.6 mtm180 -93.3 148.14 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t0 83.96 40.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.775 HG12 HD22 ' A' ' 12' ' ' LEU . 3.3 t -91.48 114.11 60.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.851 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.97 34.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.655 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.9 mm -79.75 131.72 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.04 62.85 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.38 109.51 4.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.566 ' HB ' HD12 ' A' ' 65' ' ' LEU . 3.8 mm -41.4 128.19 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.55 ' HA ' HG23 ' A' ' 66' ' ' VAL . 39.8 pt -101.03 -30.62 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.8 p -170.2 172.67 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 108.31 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -124.1 155.32 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLN . 77.1 p -131.6 150.95 51.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.736 HG13 ' HB2' ' A' ' 62' ' ' ALA . 15.7 m -130.26 -171.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.87 -25.14 5.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 153.94 78.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.6 20.68 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.92 -36.05 64.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -70.83 -18.33 62.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' LYS . 43.4 mt -64.65 -53.63 39.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.59 -31.11 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.94 -33.02 63.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.5 m-85 -87.52 -19.71 27.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -46.25 -30.47 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -119.9 71.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -118.34 156.82 28.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -127.57 124.12 37.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HG2' HG21 ' A' ' 78' ' ' ILE . 19.4 mttt -75.44 140.37 42.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 43.3 t -111.19 98.02 37.67 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.4 8.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 74' ' ' PRO . 42.5 tp -42.64 101.76 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.572 1.827 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.647 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.3 p -64.72 107.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 mt -91.83 22.42 4.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.34 171.0 7.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.982 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -63.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 p -93.06 35.0 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.477 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.4 ttt -74.86 112.87 11.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.39 -22.02 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.43 152.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.77 -177.11 14.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.498 HG21 ' HG2' ' A' ' 71' ' ' ARG . 8.1 m -132.72 131.84 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.572 HG22 ' HA ' ' A' ' 68' ' ' GLU . 31.1 mm -68.94 86.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -48.65 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.382 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.66 157.38 35.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.63 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 71.6 m95 -102.62 81.6 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 3.2 tp10 -38.19 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.155 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' TRP . 18.8 mmtt -114.12 173.77 6.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -135.17 178.57 6.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.24 130.48 43.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.7 24.05 63.29 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.83 129.63 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.418 0.716 . . . . 0.0 109.395 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -64.65 133.8 52.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.444 HG21 HG12 ' A' ' 41' ' ' ILE . 7.9 mt -123.94 104.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -87.8 145.85 25.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.087 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 121.78 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.3 -31.27 8.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -56.59 126.29 26.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.362 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 53' ' ' PHE . 26.9 tp -56.17 126.39 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.401 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.444 HG12 HG21 ' A' ' 35' ' ' ILE . 59.9 mt -90.97 -44.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 109.214 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.63 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -173.67 164.22 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 11.5 mt-10 -110.43 140.95 44.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -120.44 138.12 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 50' ' ' THR . 2.4 mt-10 -98.2 112.09 24.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.9 p -114.07 165.33 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -50.07 -24.3 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 7.7 tttp -79.18 -54.28 6.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 169.84 -175.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 45' ' ' GLU . 12.6 m -77.27 108.96 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.02 160.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.87 113.15 2.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 40' ' ' LEU . 8.4 t80 -81.17 113.33 19.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.27 154.16 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.432 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 17.2 t -78.86 135.35 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -109.51 21.38 17.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.7 169.68 14.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.28 109.27 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -163.0 -173.19 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.326 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.718 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.4 m-85 -124.24 157.03 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.402 ' O ' HD13 ' A' ' 89' ' ' ILE . 54.2 tpp -65.29 110.57 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.989 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -75.8 -58.99 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -153.3 148.73 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.659 HG22 ' O ' ' A' ' 64' ' ' ILE . 42.1 mt -112.08 78.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.9 mt -46.31 -59.81 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG13 HG21 ' A' ' 70' ' ' THR . 4.4 t -95.29 121.52 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.82 -173.23 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.572 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -88.5 132.91 34.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.33 -20.63 30.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.536 HG21 HG13 ' A' ' 66' ' ' VAL . 82.3 m -59.42 104.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 2.7 mtt-85 -93.19 155.03 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER 84.38 30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.679 HG12 HD22 ' A' ' 12' ' ' LEU . 5.5 t -82.54 114.38 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.835 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -74.96 163.34 35.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.647 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.6 mm -79.92 130.98 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.97 -16.39 58.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.29 115.15 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.349 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.588 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.4 mm -47.2 124.61 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.8 pt -97.86 -37.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.24 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.9 p -158.58 171.9 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.305 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.495 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -123.68 156.83 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 62.3 p -131.51 150.36 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.431 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.989 HG13 ' HB2' ' A' ' 62' ' ' ALA . 22.3 m -126.96 -168.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.67 -12.64 14.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.411 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -145.76 153.1 50.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.25 21.54 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -75.49 -38.73 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -72.13 -16.52 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.718 HD11 ' HB2' ' A' ' 60' ' ' TYR . 18.4 mt -65.09 -51.17 69.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -46.18 -41.95 13.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.54 80.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.9 m-85 -81.23 -20.32 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ILE . 1.6 tttm -43.92 -36.97 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.208 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -116.58 68.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -112.2 139.6 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.2 tt0 -133.91 124.3 26.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 0.793 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -81.71 140.8 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -112.09 96.81 36.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.417 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.1 Cg_endo -74.95 122.44 7.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.002 HD23 ' O ' ' A' ' 74' ' ' PRO . 28.0 tp -40.62 100.5 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 131.37 14.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.602 ' HB3' HG21 ' A' ' 75' ' ' ILE . 84.7 p -64.27 108.26 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.049 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.46 23.76 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -154.2 170.9 7.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -96.65 37.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.2 ttt -77.36 109.92 11.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -25.31 13.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.27 149.23 7.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -133.81 -171.62 12.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.567 HG21 ' HG2' ' A' ' 71' ' ' ARG . 15.3 m -138.76 131.86 29.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.452 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 68' ' ' GLU . 48.5 mm -68.76 92.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -53.88 -63.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -150.57 162.29 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.791 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 42.7 m95 -110.17 81.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.047 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -42.82 -28.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -117.57 154.33 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.47 175.62 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.59 129.27 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.542 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 81.62 29.86 38.12 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.38 1.05 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.34 140.75 46.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.45 134.11 37.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.376 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.559 HD13 HG12 ' A' ' 41' ' ' ILE . 61.2 mt -122.27 138.21 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.05 142.61 47.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.6 119.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.4 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 101.28 -43.01 1.8 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.56 121.36 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 53' ' ' PHE . 47.3 tp -50.55 134.73 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.559 HG12 HD13 ' A' ' 35' ' ' ILE . 53.2 mt -103.74 -38.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.611 1.194 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.791 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 163.03 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 57.7 mt-10 -107.9 164.89 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -143.51 135.62 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.91 118.81 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HG1' ' A' ' 46' ' ' THR . 14.2 p -120.13 169.36 10.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.45 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -19.45 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.652 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -86.07 -50.35 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -77.1 114.4 15.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.69 166.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.62 112.12 1.9 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.5 t80 -82.4 116.57 21.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 0.804 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 29.1 mt-10 -92.66 167.21 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.437 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 23.2 t -81.95 154.03 25.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.1 -24.35 16.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.42 -173.23 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -89.14 133.15 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.3 p 179.35 -171.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.941 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.4 m-85 -127.62 159.93 33.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 tpp -68.65 111.07 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -75.22 -58.4 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' ILE . 52.0 tptt -155.82 144.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.659 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.3 mt -109.91 76.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.3 mt -46.43 -59.2 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.664 HG13 HG21 ' A' ' 70' ' ' THR . 3.1 t -94.44 120.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.5 -174.89 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.583 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.28 132.23 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 108.21 -22.67 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.664 HG21 HG13 ' A' ' 66' ' ' VAL . 54.5 m -54.92 102.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 0.797 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HG2' HG21 ' A' ' 23' ' ' THR . 76.1 mtm180 -88.65 155.02 19.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER 77.47 44.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.888 HG12 HD22 ' A' ' 12' ' ' LEU . 11.5 t -91.89 114.35 61.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 1.002 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.4 mm -79.96 130.42 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.06 -16.01 58.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.74 107.84 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.508 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.5 mm -40.81 122.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 23.5 pt -94.19 -35.47 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 p -161.07 176.32 11.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.265 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.655 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.4 mt -130.0 155.06 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p -127.74 158.54 37.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.32 -173.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.19 -17.53 13.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.11 158.08 45.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -21.77 15.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.64 -25.23 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.28 -33.92 19.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.941 HD11 ' HB2' ' A' ' 60' ' ' TYR . 61.3 mt -44.13 -48.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.59 -46.11 66.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.15 75.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 16.6 m-85 -86.22 -6.96 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.8 tttt -64.97 -12.69 52.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -136.08 71.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -120.65 120.2 35.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.431 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.534 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.3 tt0 -120.21 128.35 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -82.4 138.19 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 43.6 t -110.63 98.94 39.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 126.15 9.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.83 HD23 ' O ' ' A' ' 74' ' ' PRO . 56.3 tp -43.11 102.16 0.27 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.02 132.62 15.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.633 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.8 p -66.4 108.85 2.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.13 24.34 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -156.4 168.84 11.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.596 1.185 . . . . 0.0 110.003 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -58.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 p -96.41 35.77 1.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.482 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.7 ttt -77.69 115.66 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -108.44 -23.3 11.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.22 150.16 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.4 -179.31 16.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 ' HG2' ' A' ' 71' ' ' ARG . 4.9 m -131.49 130.53 42.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.642 HG22 ' HA ' ' A' ' 68' ' ' GLU . 37.2 mm -69.72 89.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.391 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.03 -64.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.11 153.79 32.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 110.219 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.61 ' NE1' HG21 ' A' ' 24' ' ' ILE . 68.3 m95 -99.12 79.9 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 108.052 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' TRP . 38.4 tp10 -38.31 -32.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 39.0 mmtt -109.98 167.19 10.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.232 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -130.73 176.17 8.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.14 137.23 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.55 40.67 90.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.84 121.04 35.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 0.788 . . . . 0.0 109.368 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 5.0 tttt -58.14 137.66 56.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.937 HG23 ' CG ' ' A' ' 39' ' ' ASP . 8.1 mt -124.14 136.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -113.52 131.72 55.96 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 121.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 -34.3 5.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.937 ' CG ' HG23 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -49.95 162.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 53' ' ' PHE . 58.7 tp -90.93 114.16 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -76.67 -46.33 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.27 165.37 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -106.79 154.48 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.5 t -135.68 134.31 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.6 mt-10 -95.76 119.93 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 48' ' ' LYS . 54.1 p -121.54 165.48 15.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -77.57 -70.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.81 -174.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.482 HG23 ' HG3' ' A' ' 45' ' ' GLU . 6.7 m -76.66 113.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.08 165.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.91 106.67 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.482 ' O ' HD12 ' A' ' 40' ' ' LEU . 9.9 t80 -76.79 114.76 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 0.5 OUTLIER -93.07 163.05 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 10.0 t -75.66 160.45 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.0 -18.64 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 55' ' ' SER . 5.9 pt-20 -162.57 171.16 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -82.67 112.85 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.7 p -156.22 -174.33 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -123.46 148.78 45.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 54.6 tpp -61.58 114.68 3.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.077 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.608 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -81.45 -63.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' ILE . 10.9 tptt -149.51 146.65 27.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 64' ' ' ILE . 29.1 mt -110.09 79.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.413 HD12 ' HB ' ' A' ' 78' ' ' ILE . 37.4 mt -47.91 -59.47 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.547 HG13 HG21 ' A' ' 70' ' ' THR . 3.8 t -94.83 122.32 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.27 -174.49 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -85.73 131.56 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.46 -22.3 26.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.422 1.076 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.547 HG21 HG13 ' A' ' 66' ' ' VAL . 99.8 m -57.56 103.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 85.8 mtm-85 -94.42 151.66 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 87.27 31.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.698 HG12 HD22 ' A' ' 12' ' ' LEU . 4.2 t -84.41 115.35 60.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.83 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.15 33.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.441 1.758 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.633 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.4 mm -78.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.84 -20.11 50.51 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.426 1.078 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.04 110.16 2.83 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -40.09 130.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 44.5 pt -102.17 -33.05 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -165.52 174.34 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.598 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -127.71 155.7 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.8 p -130.36 156.03 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 62' ' ' ALA . 14.8 m -133.81 -172.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.4 1.063 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.42 -9.55 19.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.58 1.175 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.87 154.79 44.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.61 16.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.79 -33.36 73.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -78.41 -36.36 45.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 93' ' ' LYS . 49.2 mt -44.59 -53.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.07 -33.95 65.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.247 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.11 -19.48 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.0 m-85 -102.55 -12.27 17.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.89 -20.55 23.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -125.98 68.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -121.23 149.82 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -135.44 122.76 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -78.16 141.9 38.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 40.7 t -112.71 96.08 35.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.9 122.93 7.56 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.968 HD23 ' O ' ' A' ' 74' ' ' PRO . 44.8 tp -40.01 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.0 131.62 14.5 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.76 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.652 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.4 p -65.63 108.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -92.24 23.69 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.476 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.51 170.84 7.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -63.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -93.27 35.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.476 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.5 ttt -73.34 115.31 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -108.24 -24.3 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.59 157.02 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.89 -178.71 17.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 71' ' ' ARG . 5.6 m -134.8 123.07 22.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.39 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.715 HG21 ' NE1' ' A' ' 27' ' ' TRP . 39.4 mm -63.43 93.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -63.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.69 148.86 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.715 ' NE1' HG21 ' A' ' 24' ' ' ILE . 82.4 m95 -95.48 89.36 5.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.481 ' CD ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -39.0 -44.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' TRP . 41.6 mmtt -96.82 179.32 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 61' ' ' MET . 7.7 mmtt -135.12 -175.96 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.84 125.78 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.644 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 84.06 12.12 77.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.78 135.03 34.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.4 tttm -68.7 137.79 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.435 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 50.4 mt -122.76 133.53 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.81 139.33 50.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.06 117.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.58 -44.37 1.52 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.419 1.075 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -44.27 134.63 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD23 ' CD ' ' A' ' 28' ' ' GLU . 35.6 tp -64.68 121.89 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.721 HD11 ' HA ' ' A' ' 55' ' ' SER . 62.8 mt -81.25 -46.94 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.61 156.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.45 141.96 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 51' ' ' VAL . 56.1 t -125.64 137.43 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.66 117.96 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.461 HG23 HG22 ' A' ' 51' ' ' VAL . 54.2 p -108.63 178.78 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -8.11 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 3.6 mmmt -98.47 -49.5 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 172.38 -174.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.1 m -76.48 119.99 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 44' ' ' VAL . 1.6 m -100.98 165.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -123.76 116.03 2.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HE2' HG11 ' A' ' 10' ' ' VAL . 6.1 t80 -85.09 113.69 21.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.69 152.85 18.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.721 ' HA ' HD11 ' A' ' 41' ' ' ILE . 32.9 t -71.96 150.43 44.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -98.49 -21.54 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -155.31 168.21 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 10.7 tt0 -83.27 108.33 16.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.9 p -146.28 -175.12 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' HB3' HD11 ' A' ' 89' ' ' ILE . 7.1 m-30 -118.95 147.42 44.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -62.82 99.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -67.91 -69.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.5 tptt -146.94 147.35 30.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 64' ' ' ILE . 62.9 mt -111.61 75.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' CG2' ' A' ' 78' ' ' ILE . 41.9 mt -43.81 -60.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.625 HG13 HG21 ' A' ' 70' ' ' THR . 4.1 t -91.17 118.48 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.84 -175.3 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.636 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -86.0 127.11 34.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 116.14 -25.15 9.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.625 HG21 HG13 ' A' ' 66' ' ' VAL . 37.7 m -53.17 103.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 0.795 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 11.7 mtt180 -93.45 147.15 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 t70 86.51 36.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.668 HG12 HD22 ' A' ' 12' ' ' LEU . 4.1 t -86.43 116.14 64.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.968 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 161.26 39.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.574 1.829 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.652 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.5 mm -75.6 136.04 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.67 -20.35 47.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 110.92 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.4 mm -40.88 127.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 12' ' ' LEU . 40.2 pt -102.4 -29.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.425 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 24.8 p -169.2 172.54 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.278 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.496 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -122.22 155.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.5 p -128.04 142.21 51.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 62' ' ' ALA . 7.8 m -124.54 -173.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.84 -15.44 7.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -140.23 155.46 70.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.75 15.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.91 -21.98 66.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 -23.31 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.644 HD13 ' HA2' ' A' ' 32' ' ' GLY . 35.8 mt -60.31 -40.09 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.15 -33.54 74.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.05 -23.11 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.7 m-85 -96.54 -22.78 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.64 ' HE3' HG22 ' A' ' 89' ' ' ILE . 1.7 ttmt -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.59 76.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.423 ' C ' HG23 ' A' ' 96' ' ' THR . 80.1 t80 -117.39 153.52 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 95' ' ' TYR . 35.9 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -143.25 121.29 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -80.57 138.63 36.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 97.2 t -111.22 98.47 39.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.97 9.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 74' ' ' PRO . 53.7 tp -40.93 100.72 0.23 Allowed Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.36 14.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.654 ' HB3' HG21 ' A' ' 75' ' ' ILE . 85.2 p -65.24 108.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -92.35 24.32 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -155.14 170.0 9.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -60.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.9 p -96.13 36.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.48 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.4 ttt -75.12 117.44 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -108.37 -27.21 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.95 147.56 6.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.79 178.91 17.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 71' ' ' ARG . 3.5 m -128.37 128.04 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.642 HG21 ' NE1' ' A' ' 27' ' ' TRP . 41.6 mm -67.64 90.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.04 167.48 29.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.844 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 77.2 m95 -114.28 88.74 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 108.071 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.28 -32.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -118.23 154.43 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -112.09 -172.46 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 52.8 mt-10 -78.48 120.46 23.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.693 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 94.93 3.89 61.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.66 130.89 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.1 tttt -65.84 138.26 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.216 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.432 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 11.7 mt -123.62 132.04 72.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.44 133.29 54.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.88 122.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.17 -43.17 1.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -47.42 152.24 0.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 53' ' ' PHE . 41.0 tp -79.14 136.85 37.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.12 -44.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.844 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -167.59 161.85 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -109.4 148.76 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.6 130.68 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.97 115.85 27.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 48' ' ' LYS . 35.4 p -117.69 158.66 24.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.12 -25.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.693 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -77.83 -48.03 17.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 163.6 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -76.76 114.84 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.89 166.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.28 113.22 1.97 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.632 ' O ' HD12 ' A' ' 40' ' ' LEU . 11.5 t80 -81.63 112.15 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.86 166.15 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -82.37 156.03 24.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.15 -20.27 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -154.01 161.02 42.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.17 124.35 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.3 p -171.83 -174.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 108.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.481 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.9 m-85 -124.56 155.94 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.5 tpp -69.49 120.39 15.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -85.52 -52.95 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' ILE . 14.7 tptt -157.79 144.86 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 64' ' ' ILE . 48.2 mt -110.26 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.1 mt -43.41 -60.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.686 HG13 HG21 ' A' ' 70' ' ' THR . 2.9 t -92.94 118.31 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.1 -179.07 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.506 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -78.25 139.21 38.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.35 -19.87 50.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.416 1.072 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.686 HG21 HG13 ' A' ' 66' ' ' VAL . 47.9 m -61.15 102.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 82.6 mtt180 -93.94 153.53 18.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 m-20 85.54 31.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.685 HG12 HD22 ' A' ' 12' ' ' LEU . 3.8 t -85.99 114.6 57.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.958 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 163.77 34.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.595 1.84 . . . . 0.0 111.052 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.654 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.9 mm -77.82 131.42 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.63 -23.82 34.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.4 110.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.9 mm -40.3 129.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 36.1 pt -101.35 -32.45 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.0 p -167.53 175.69 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.2 mt -125.88 155.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.3 p -130.67 147.77 52.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.0 m -130.32 -172.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.46 13.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -147.57 157.37 44.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.96 -26.21 11.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.41 -28.69 45.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.413 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -89.55 -28.85 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.693 HD13 ' HA2' ' A' ' 32' ' ' GLY . 51.4 mt -53.66 -41.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.73 -34.77 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.38 -31.3 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.523 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 9.0 m-85 -88.56 -22.75 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -49.97 -24.47 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -126.22 70.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -120.42 144.32 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.7 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 p -170.67 106.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.67 93.44 7.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.949 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.86 -89.0 2.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -93.57 138.44 31.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.583 0.814 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -127.6 90.37 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -126.2 -171.8 13.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.8 tt0 -139.68 124.19 18.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 0.777 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -83.43 139.54 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -111.32 97.76 37.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.01 122.52 7.25 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 74' ' ' PRO . 43.0 tp -39.99 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.1 Cg_endo -75.11 131.57 14.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.587 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.6 p -63.96 107.25 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.979 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.66 22.86 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.18 171.99 6.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 p -93.3 35.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.475 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.483 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.3 ttt -73.5 111.97 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -104.91 -25.68 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.3 147.64 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -130.52 -175.03 13.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HG2' ' A' ' 71' ' ' ARG . 8.1 m -135.79 128.16 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.621 HG21 ' NE1' ' A' ' 27' ' ' TRP . 50.1 mm -66.38 92.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -54.16 -63.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.58 154.03 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.621 ' NE1' HG21 ' A' ' 24' ' ' ILE . 81.6 m95 -99.55 82.32 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.54 ' HG3' HD23 ' A' ' 40' ' ' LEU . 4.2 mm-40 -38.81 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 21.3 mmtt -114.26 161.06 18.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.22 179.82 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -69.82 130.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 88.16 -9.74 73.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.72 131.74 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 2.6 tttm -71.49 135.08 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -119.25 140.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.76 144.43 50.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.03 123.66 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.36 -41.91 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -47.37 132.82 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD23 ' HG3' ' A' ' 28' ' ' GLU . 17.0 tp -63.66 126.67 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 53.2 mt -93.37 -37.48 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.566 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -177.02 166.93 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.369 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.622 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 68.6 mt-10 -111.62 144.18 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.24 136.0 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -96.65 116.64 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.441 ' C ' ' N ' ' A' ' 48' ' ' LYS . 48.9 p -122.44 156.09 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.641 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -73.99 -53.32 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.32 -174.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 m -78.68 108.28 11.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.43 165.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.22 124.04 5.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.53 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.6 t80 -90.54 115.08 27.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.15 154.18 18.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 33.5 t -71.08 158.74 35.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -176.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 59' ' ' CYS . 18.9 tt0 -74.02 143.99 45.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.402 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 1.6 p 169.99 -174.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.684 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.0 m-85 -129.36 151.34 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.5 tpp -63.3 109.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.654 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -73.18 -67.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' ILE . 4.4 tptt -148.31 146.7 28.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.2 mt -110.95 75.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.4 mt -45.49 -59.86 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 70' ' ' THR . 3.3 t -93.23 121.41 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.24 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.609 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -86.73 130.43 34.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.19 -23.86 17.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.584 HG21 HG13 ' A' ' 66' ' ' VAL . 88.5 m -54.29 102.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.561 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 61.9 mtm180 -92.44 149.27 21.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 12.6 t0 86.52 35.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.656 HG12 HD22 ' A' ' 12' ' ' LEU . 5.2 t -87.01 115.56 63.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.985 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -74.96 164.99 32.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.587 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.1 mm -79.89 132.25 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.88 -19.37 54.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.6 108.54 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 78' ' ' ILE . 5.2 mm -39.9 123.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 12' ' ' LEU . 29.9 pt -96.78 -31.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 14.0 p -165.5 177.48 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.654 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -129.82 154.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 8' ' ' GLN . 23.4 p -130.66 152.67 49.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.58 -173.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.38 -9.86 28.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.66 154.98 32.26 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.529 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -16.24 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 -33.65 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.684 HD11 ' HB2' ' A' ' 60' ' ' TYR . 97.6 mt -44.41 -55.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -51.07 7.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.23 73.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.7 m-85 -84.01 -9.2 58.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 89' ' ' ILE . 13.6 tttt -59.53 -30.61 68.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -119.18 70.89 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -117.66 144.96 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 p -147.09 137.39 23.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.137 . . . . 0.0 110.428 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.08 105.34 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.13 96.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -61.05 94.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.073 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 87.4 p -177.35 109.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.33 159.67 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.14 -62.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.3 m -162.36 93.21 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.975 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.93 -160.59 13.11 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.99 5.47 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.7 p -117.29 -58.52 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.6 t 49.59 93.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.973 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 39.83 81.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 p -143.71 89.26 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.952 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.97 156.26 9.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -56.22 -51.73 67.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.74 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.53 -172.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.2 -175.25 14.01 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.434 1.084 . . . . 0.0 111.043 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.1 tt0 -143.22 122.0 12.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -79.16 136.93 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.8 97.81 39.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 131.1 14.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 73' ' ' VAL . 43.4 tp -46.26 104.28 0.39 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.194 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -64.75 110.12 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.0 mt -96.84 13.48 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -155.36 169.99 9.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.0 p -92.19 32.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.549 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -68.24 131.22 44.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -118.91 -35.21 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.15 147.77 11.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.83 -173.56 13.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.563 HG21 ' HG2' ' A' ' 71' ' ' ARG . 17.8 m -136.76 137.96 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.582 HG21 ' NE1' ' A' ' 27' ' ' TRP . 31.9 mm -73.51 87.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -151.24 154.18 36.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 48.2 m95 -100.73 80.52 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -37.6 -36.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -110.63 171.13 7.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -134.66 177.46 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.45 132.11 47.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.526 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 77.05 34.62 41.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -113.44 158.93 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -95.33 134.67 37.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.961 HG23 ' CG ' ' A' ' 39' ' ' ASP . 11.5 mt -123.64 131.88 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 74.5 m-20 -113.63 133.75 55.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -38.62 120.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.03 -34.26 5.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.961 ' CG ' HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -50.61 161.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD11 ' CA ' ' A' ' 52' ' ' GLY . 53.8 tp -93.21 113.6 25.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.0 mt -73.77 -50.27 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.595 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.47 169.62 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.41 158.44 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.42 134.64 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.697 ' HG3' HG23 ' A' ' 50' ' ' THR . 10.4 mt-10 -96.4 121.94 38.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -125.03 168.45 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 -23.68 2.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.7 mmpp? -80.91 -59.54 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 173.95 -174.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.697 HG23 ' HG3' ' A' ' 45' ' ' GLU . 4.3 m -77.35 116.57 18.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.48 166.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -119.7 114.99 2.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 40' ' ' LEU . 17.8 t80 -84.04 115.18 22.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 6.1 mp0 -94.41 162.67 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -81.66 153.21 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.62 -25.57 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -144.59 173.15 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.71 122.94 33.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.3 p -170.15 -171.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.635 ' HB2' HD11 ' A' ' 89' ' ' ILE . 3.1 m-85 -123.39 162.22 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -70.93 118.69 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.77 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -83.8 -63.46 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -149.05 148.68 29.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 64' ' ' ILE . 49.0 mt -113.11 76.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.117 HD13 HD11 ' A' ' 97' ' ' LEU . 39.2 mt -44.98 -59.99 2.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.501 HG13 HG21 ' A' ' 70' ' ' THR . 3.6 t -94.16 121.39 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.41 -177.05 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.07 129.71 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 112.77 -26.13 11.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.501 HG21 HG13 ' A' ' 66' ' ' VAL . 82.0 m -54.05 102.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 23' ' ' THR . 99.6 mtt180 -90.09 150.01 22.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.4 t0 83.71 40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.474 HG12 HD22 ' A' ' 12' ' ' LEU . 13.5 t -85.89 114.46 57.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.04 43.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.549 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -75.02 136.63 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.195 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.7 -16.29 61.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.573 1.171 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.41 108.03 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.539 ' HB ' HD12 ' A' ' 65' ' ' LEU . 4.1 mm -40.3 123.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.3 pt -96.45 -29.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.5 p -166.87 176.1 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 108.267 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.619 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.4 mt -129.84 155.31 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 7.1 p -128.68 160.26 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 62' ' ' ALA . 26.9 m -133.54 -170.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.07 -18.35 9.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -143.78 157.91 57.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.524 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -13.04 21.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.35 -9.4 59.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.635 HD11 ' HB2' ' A' ' 60' ' ' TYR . 70.2 mt -69.8 -53.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.5 -33.64 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.05 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 95' ' ' TYR . 2.2 m-85 -92.82 -7.05 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.38 -21.11 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -126.19 60.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.454 ' CD2' ' CE1' ' A' ' 92' ' ' PHE . 18.3 t80 -101.97 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -138.02 166.9 22.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.117 HD11 HD13 ' A' ' 65' ' ' LEU . 4.9 mp -91.2 121.08 32.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -117.23 127.73 54.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 t -63.93 -62.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.967 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -62.46 105.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.86 123.76 2.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.81 -60.45 3.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 t -165.89 -58.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 60.49 162.51 0.13 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.95 38.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.7 m -127.17 82.56 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.0 m -86.2 -58.57 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.98 155.12 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -96.29 167.1 11.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.041 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.09 178.17 4.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.96 -50.19 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 0.0 110.015 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -167.55 68.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -126.78 -177.09 14.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.516 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -140.12 123.11 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -80.59 138.65 36.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -113.08 95.5 34.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.3 10.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 74' ' ' PRO . 47.2 tp -43.03 102.34 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.13 26.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.574 1.828 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 p -62.78 107.97 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.37 6.67 47.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.211 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.3 OUTLIER -149.89 165.18 18.16 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -54.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.584 1.834 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -97.15 36.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.544 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -77.36 134.34 38.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.19 -37.39 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.0 149.42 14.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.68 -173.3 13.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' HG2' ' A' ' 71' ' ' ARG . 5.2 m -139.36 137.36 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.36 91.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -63.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -148.19 150.15 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.63 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 20.0 m95 -95.34 76.27 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -39.88 -29.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 27' ' ' TRP . 31.4 mmtt -125.27 128.0 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.69 -177.34 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 62' ' ' ALA . 9.1 mt-10 -69.75 136.06 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.89 6.34 89.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 126.66 37.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -68.16 137.08 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.378 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 25.9 mt -122.23 127.11 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -107.03 138.61 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.82 119.22 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.52 -44.64 1.43 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -44.72 140.36 2.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 53' ' ' PHE . 44.5 tp -67.24 130.16 42.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mt -93.77 -45.56 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.63 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.79 166.95 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -112.72 136.48 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.2 t -117.17 133.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.54 118.92 31.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -117.05 170.31 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.33 -17.2 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mmtt -86.95 -48.9 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.46 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -76.96 110.26 11.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.19 163.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.28 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.806 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.7 t80 -84.69 120.98 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 0.799 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.8 169.24 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 44.0 t -87.44 153.85 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -157.74 170.03 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 59' ' ' CYS . 12.2 tt0 -74.97 143.64 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.419 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 1.8 p 168.5 -173.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.946 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.9 m-85 -125.36 151.41 46.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 89' ' ' ILE . 31.5 tpp -61.38 111.04 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -75.23 -65.63 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -144.82 150.53 37.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.554 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 71.9 mt -117.29 79.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' A' ' 97' ' ' LEU . 51.7 mt -47.38 -57.09 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.786 HG13 HG21 ' A' ' 70' ' ' THR . 6.5 t -86.15 119.8 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.66 -162.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 3.4 mt-10 -93.55 138.61 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' THR . . . 93.11 -30.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.786 HG21 HG13 ' A' ' 66' ' ' VAL . 77.3 m -36.37 104.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HG2' HG21 ' A' ' 23' ' ' THR . 16.3 mtp180 -94.75 153.28 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 m-20 78.24 50.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.402 HG12 HD22 ' A' ' 12' ' ' LEU . 7.2 t -92.78 113.46 59.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.456 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.0 Cg_endo -75.06 156.25 42.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.433 1.754 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.8 OUTLIER -73.09 141.07 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.87 -10.15 66.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 107.17 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.576 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.6 mm -40.35 120.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.508 ' HA ' HG23 ' A' ' 66' ' ' VAL . 49.1 pt -92.79 -31.17 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.4 p -166.62 174.71 8.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.527 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -128.27 156.51 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.9 p -129.06 159.21 36.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.451 ' CG2' HG12 ' A' ' 89' ' ' ILE . 2.0 m -135.7 -176.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.13 -10.46 39.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' OD2' ' A' ' 88' ' ' ASP . 1.6 ptpm? -150.47 157.54 36.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.342 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -36.94 2.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.24 -22.84 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' OD2' ' CG ' ' A' ' 85' ' ' LYS . 0.9 OUTLIER -84.38 -31.29 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.946 HD11 ' HB2' ' A' ' 60' ' ' TYR . 53.2 mt -52.94 -52.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -46.81 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.03 82.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.4 m-85 -80.67 -8.43 59.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -13.11 57.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -132.88 52.96 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.61 158.27 16.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.6 p -151.29 150.9 31.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.515 HD11 ' CD1' ' A' ' 65' ' ' LEU . 8.4 mp -89.05 107.12 18.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.75 114.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.0 p -171.41 157.3 4.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.062 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.4 t -124.51 83.92 2.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.12 152.73 44.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.0 102.54 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -115.3 90.1 3.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.01 -161.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 151.8 40.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.9 t 55.95 92.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.76 163.45 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.079 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -62.51 92.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.949 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 t -61.42 -56.05 24.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.12 -98.76 2.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -60.54 -58.46 8.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.434 0.726 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.4 123.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.963 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -141.09 -165.44 10.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.6 tt0 -139.57 120.79 14.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -80.5 141.72 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 t -113.01 95.36 34.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.91 130.57 13.49 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.645 HD22 HG12 ' A' ' 73' ' ' VAL . 59.1 tp -45.28 103.72 0.36 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 139.96 24.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.66 107.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.28 9.16 35.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.16 165.79 16.71 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 0.0 110.005 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.93 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.9 p -94.47 32.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.528 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -73.22 134.98 44.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.4 OUTLIER -121.1 -37.02 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.11 148.73 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.51 -173.49 13.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.584 HG21 ' HG2' ' A' ' 71' ' ' ARG . 13.9 m -139.01 130.66 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 0.809 . . . . 0.0 110.477 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' A' ' 68' ' ' GLU . 3.4 mm -66.13 92.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -53.05 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.19 154.52 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 42.5 m95 -99.37 85.59 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.09 -26.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -119.98 162.14 19.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' MET . 2.1 mmmm -128.51 -177.51 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.99 123.78 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.09 -1.91 65.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.85 135.17 34.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -74.74 136.19 41.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 15.8 mt -115.1 118.24 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.61 134.78 47.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.88 122.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.97 -37.08 3.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.19 135.16 57.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 53' ' ' PHE . 68.4 tp -62.39 144.45 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.1 mt -108.5 -42.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -173.57 151.27 1.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 23.1 mt-10 -96.65 142.13 29.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.6 134.25 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.625 ' HG3' HG23 ' A' ' 50' ' ' THR . 3.4 mt-10 -95.55 121.67 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.228 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -127.37 167.03 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.1 -21.37 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 4.9 tttp -81.03 -52.14 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.238 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.88 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.625 HG23 ' HG3' ' A' ' 45' ' ' GLU . 16.5 m -79.16 107.86 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -91.18 165.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.28 119.82 3.99 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.755 ' O ' HD12 ' A' ' 40' ' ' LEU . 7.1 t80 -86.53 116.55 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.34 165.77 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.426 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 30.2 t -78.63 156.03 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -104.01 -12.08 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -174.43 171.52 3.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.38 140.4 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 p 177.18 -171.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 108.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.744 ' CB ' HD11 ' A' ' 89' ' ' ILE . 17.8 m-85 -131.15 149.21 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.38 109.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.637 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -76.73 -67.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -149.76 148.94 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 64' ' ' ILE . 34.8 mt -113.2 77.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.541 HD13 HD11 ' A' ' 97' ' ' LEU . 46.2 mt -45.86 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.696 HG13 HG21 ' A' ' 70' ' ' THR . 3.4 t -91.8 117.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.35 -176.62 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.504 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.84 136.08 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.07 -19.71 45.49 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.696 HG21 HG13 ' A' ' 66' ' ' VAL . 25.7 m -56.06 102.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 0.808 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.584 ' HG2' HG21 ' A' ' 23' ' ' THR . 8.4 mtt180 -88.5 149.3 23.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 82.91 45.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.645 HG12 HD22 ' A' ' 12' ' ' LEU . 19.6 t -89.96 113.15 56.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.46 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -72.79 138.73 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.23 -14.58 61.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.84 112.76 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.5 mm -45.2 123.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 pt -97.03 -29.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.507 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 32.1 p -167.27 174.31 8.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.298 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.637 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 mt -125.62 153.37 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 p -127.97 151.67 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.572 HG22 ' HB2' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -129.81 179.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.49 -13.54 38.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 157.27 35.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.73 8.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.38 -24.42 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.35 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 60' ' ' TYR . 71.8 mt -44.26 -51.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -48.98 -42.72 38.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.2 -35.13 78.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 7.5 m-85 -83.94 -8.57 59.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 7.1 tttm -52.89 -27.24 17.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -129.2 78.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -120.4 136.38 54.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.3 p -137.04 153.01 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.541 HD11 HD13 ' A' ' 65' ' ' LEU . 4.9 mp -85.73 80.36 9.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.11 120.46 9.21 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 96.9 p -41.18 107.46 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.6 t 63.01 103.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.66 164.13 25.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.05 71.6 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.14 95.87 3.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.052 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -81.31 130.72 9.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.46 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 m -49.37 109.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.057 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -56.49 146.08 25.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.963 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 t -108.3 137.12 46.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.804 . . . . 0.0 110.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -70.75 127.38 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.94 -68.0 0.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.36 159.59 33.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.974 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 m -125.79 79.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -126.73 -171.09 13.02 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.9 tt0 -143.12 121.67 12.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 0.814 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -78.78 140.9 38.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.67 97.25 36.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.06 124.75 8.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.922 HD23 ' O ' ' A' ' 74' ' ' PRO . 62.5 tp -40.36 100.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.81 15.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.594 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.3 p -65.54 107.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 ' HB ' ' A' ' 44' ' ' VAL . 17.6 mt -91.71 23.06 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -154.8 171.46 7.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -65.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -91.7 34.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.481 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.0 ttt -73.57 112.55 9.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.27 -25.29 12.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.0 147.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.09 -178.41 15.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.566 HG21 ' HG2' ' A' ' 71' ' ' ARG . 7.3 m -134.47 125.18 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.383 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.627 HG22 ' HA ' ' A' ' 68' ' ' GLU . 38.0 mm -63.68 98.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -58.38 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.6 152.15 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 84.3 m95 -96.19 91.97 6.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.666 ' HG3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -50.05 -22.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -119.61 168.1 11.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 61' ' ' MET . 1.2 mmtt -125.14 -175.11 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.34 128.54 33.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.598 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 83.67 20.15 60.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.46 135.97 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -67.59 138.13 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 97.6 mt -120.7 119.05 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -106.23 139.33 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.22 120.57 2.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.92 -36.05 4.58 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.128 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -53.09 147.86 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.666 HD23 ' HG3' ' A' ' 28' ' ' GLU . 6.4 tp -75.82 124.37 27.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -91.11 -45.01 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 156.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 29.2 mt-10 -102.3 140.67 36.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' HB ' HD12 ' A' ' 15' ' ' LEU . 60.5 t -117.57 135.58 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.655 ' HG3' HG23 ' A' ' 50' ' ' THR . 9.8 mt-10 -99.02 115.01 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.3 p -117.88 167.3 11.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.051 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.59 -22.44 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 7.3 tttt -80.24 -52.43 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 168.17 -174.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.655 HG23 ' HG3' ' A' ' 45' ' ' GLU . 23.5 m -80.14 111.51 16.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.137 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.1 t -92.79 165.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -122.13 115.44 2.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.2 t80 -81.29 108.54 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 0.758 . . . . 0.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -91.89 144.28 25.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -67.31 136.19 54.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -111.12 19.49 18.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -165.29 -175.85 3.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.26 109.03 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 p -156.5 -173.89 4.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -119.32 150.22 40.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -62.49 99.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -68.0 -69.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -147.24 151.44 36.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.4 mt -115.52 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.4 mt -46.25 -59.3 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.689 HG13 HG21 ' A' ' 70' ' ' THR . 5.3 t -90.53 118.08 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 -171.98 3.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.28 -20.06 28.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.689 HG21 HG13 ' A' ' 66' ' ' VAL . 18.2 m -54.82 103.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.737 . . . . 0.0 110.382 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' HG21 ' A' ' 23' ' ' THR . 77.2 mtm180 -93.16 147.55 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 7.8 t0 86.23 37.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.361 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.74 HG12 HD22 ' A' ' 12' ' ' LEU . 3.3 t -89.13 114.71 61.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.922 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.96 164.15 33.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.594 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.0 mm -79.08 130.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.9 -20.46 47.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 109.36 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 0.816 . . . . 0.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -39.73 129.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 39.8 pt -104.77 -27.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.464 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 31.2 p -169.37 173.1 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -125.69 156.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.8 p -129.04 151.22 49.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 ' HB3' ' A' ' 88' ' ' ASP . 5.0 m -134.0 -172.49 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.83 -12.49 10.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -145.69 154.96 52.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -15.46 20.74 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.533 1.807 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.67 -23.62 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.497 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -92.44 -23.31 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.598 HD13 ' HA2' ' A' ' 32' ' ' GLY . 33.1 mt -59.41 -41.14 83.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -34.15 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.2 -31.36 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' CE1' HG21 ' A' ' 81' ' ' ILE . 2.8 m-85 -86.5 -25.85 24.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -37.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -114.57 69.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.405 ' C ' HG23 ' A' ' 96' ' ' THR . 82.2 t80 -114.19 151.5 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.405 HG23 ' C ' ' A' ' 95' ' ' TYR . 30.6 p -151.42 131.28 13.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 64.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.234 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.28 105.96 13.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.98 109.46 0.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.38 158.28 38.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 62.84 149.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 46.85 62.83 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.5 p -51.47 94.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 136.2 -171.22 22.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 133.76 17.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.77 16.91 5.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.55 74.01 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.095 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -56.77 98.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.052 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -85.03 113.7 21.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.33 -67.34 0.44 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -54.8 125.47 20.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 0.729 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.498 ' O ' HG12 ' A' ' 83' ' ' VAL . 55.1 m -114.17 98.03 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.946 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.4 166.16 22.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.1 tt0 -129.93 127.59 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -80.43 136.3 36.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.52 97.16 35.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.33 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.514 HD22 HG12 ' A' ' 73' ' ' VAL . 42.4 tp -46.89 104.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.69 28.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.43 108.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -94.63 13.24 24.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.03 169.24 10.58 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -62.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.565 1.824 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.0 p -94.02 33.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -68.56 134.58 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.9 OUTLIER -121.35 -37.36 2.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.5 145.83 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -171.76 13.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.577 HG21 ' HG2' ' A' ' 71' ' ' ARG . 18.1 m -137.47 138.17 39.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.865 HG21 ' NE1' ' A' ' 27' ' ' TRP . 4.5 mm -75.84 85.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.32 -65.41 0.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 156.6 41.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.865 ' NE1' HG21 ' A' ' 24' ' ' ILE . 73.7 m95 -105.06 80.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -38.63 -32.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 24.4 mmtt -122.87 136.22 54.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -105.0 -170.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.92 134.46 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.04 80.34 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.88 139.19 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttm -79.76 137.59 37.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.475 HG21 HG12 ' A' ' 41' ' ' ILE . 18.3 mt -118.15 98.11 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -77.8 133.45 38.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.64 124.9 1.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.41 -34.28 5.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.19 150.73 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 53' ' ' PHE . 57.5 tp -77.7 122.22 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG12 HG21 ' A' ' 35' ' ' ILE . 30.0 mt -84.12 -44.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.29 164.5 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -107.39 156.58 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.1 t -133.51 137.17 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.33 121.43 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.3 p -127.26 165.02 20.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -22.72 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -79.86 -52.19 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -79.5 111.48 15.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.96 163.5 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.4 108.16 1.24 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.699 ' O ' HD12 ' A' ' 40' ' ' LEU . 12.5 t80 -75.32 117.57 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.85 164.76 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -94.33 144.38 25.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.7 mt -117.98 17.16 14.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.2 172.17 17.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.3 120.07 41.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 p -170.95 -173.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -123.44 151.37 42.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -61.6 115.29 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.954 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.682 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -78.79 -65.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 31.1 tptt -148.2 148.82 30.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 64' ' ' ILE . 60.0 mt -112.34 75.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.963 HD13 HD11 ' A' ' 97' ' ' LEU . 51.0 mt -41.73 -61.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.481 HG13 HG21 ' A' ' 70' ' ' THR . 2.7 t -95.77 119.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.57 -174.46 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -86.85 128.54 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -30.63 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.481 HG21 HG13 ' A' ' 66' ' ' VAL . 26.6 m -53.12 101.94 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HG2' HG21 ' A' ' 23' ' ' THR . 8.1 mtm180 -88.68 149.4 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t70 85.93 40.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG12 HD22 ' A' ' 12' ' ' LEU . 20.7 t -84.95 114.15 54.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.95 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -73.09 139.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 -17.79 51.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 108.96 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.539 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.9 mm -39.54 132.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 pt -105.87 -29.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.1 p -167.16 174.96 7.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.682 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -129.91 154.6 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.3 p -126.77 155.32 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 6' ' ' SER . 2.7 m -131.2 -173.65 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.56 -13.69 29.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -150.36 158.34 36.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.01 -26.14 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.48 -19.89 64.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -33.71 20.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 93' ' ' LYS . 68.6 mt -46.11 -55.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -45.63 -44.75 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.77 79.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.4 m-85 -86.2 -6.98 58.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.9 ttpt -58.75 -32.55 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -115.86 68.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -116.82 145.22 43.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.8 p -140.53 156.87 46.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.963 HD11 HD13 ' A' ' 65' ' ' LEU . 7.3 mp -86.47 64.13 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.57 92.39 3.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 t -174.91 -57.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.13 92.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.033 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.31 109.04 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.51 144.61 51.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.26 -60.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.23 100.04 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 72.26 4.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.3 p 41.3 82.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.2 p -75.97 112.48 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.43 1.081 . . . . 0.0 110.955 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -84.76 123.44 30.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 0.733 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -178.25 151.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.77 -146.52 8.05 Favored Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.548 1.155 . . . . 0.0 111.04 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.62 163.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 0.699 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.587 ' O ' HG12 ' A' ' 83' ' ' VAL . 14.1 m -158.47 127.58 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.196 . . . . 0.0 109.936 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -128.19 172.68 19.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.14 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.6 tt0 -123.07 127.28 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.35 135.19 35.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.7 t -110.39 98.92 38.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 126.08 9.76 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.562 1.822 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.963 HD23 ' O ' ' A' ' 74' ' ' PRO . 49.9 tp -41.58 101.22 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.624 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.7 p -66.23 108.05 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -153.97 169.4 10.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 p -97.08 37.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.468 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.474 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.5 ttt -78.16 112.61 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -105.09 -24.86 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.35 145.92 5.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.55 -175.8 14.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.524 HG21 ' HG2' ' A' ' 71' ' ' ARG . 7.1 m -134.69 133.6 40.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 110.406 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.632 HG21 ' NE1' ' A' ' 27' ' ' TRP . 47.8 mm -71.79 90.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.99 -63.96 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.79 156.26 39.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.632 ' NE1' HG21 ' A' ' 24' ' ' ILE . 50.7 m95 -104.28 79.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 16.4 tp10 -38.11 -32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' TRP . 46.0 mmtt -111.52 164.54 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -130.11 178.53 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.69 122.16 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.477 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 83.95 37.61 11.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.78 123.19 41.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -61.35 132.79 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.03 104.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -82.5 129.74 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.81 123.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.402 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 104.86 -38.9 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.46 151.44 3.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 53' ' ' PHE . 58.7 tp -77.98 130.71 36.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -91.59 -47.94 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -170.98 161.99 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.85 157.54 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -137.61 136.32 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.2 mt-10 -98.67 122.63 42.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 p -127.34 165.62 19.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.52 -22.31 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -81.02 -52.03 7.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.26 -175.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.537 HG23 ' HG3' ' A' ' 45' ' ' GLU . 7.5 m -79.07 112.76 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.02 165.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.61 110.58 1.51 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.694 ' O ' HD12 ' A' ' 40' ' ' LEU . 16.8 t80 -78.3 112.97 15.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 24.0 mt-10 -92.79 169.33 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -95.95 137.16 35.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.937 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -109.24 12.86 24.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.33 169.73 20.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -102.49 122.15 43.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -170.87 -173.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.617 ' HB2' HD11 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -127.0 157.1 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.968 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.8 tpp -66.23 112.83 4.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.525 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -80.04 -59.44 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -149.55 147.69 28.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 64' ' ' ILE . 41.7 mt -113.42 79.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.959 HD13 HD11 ' A' ' 97' ' ' LEU . 52.8 mt -50.22 -57.6 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 70' ' ' THR . 2.9 t -96.73 123.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.16 -176.44 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.602 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -83.7 128.21 34.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 114.93 -29.84 7.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.57 HG21 HG13 ' A' ' 66' ' ' VAL . 59.2 m -49.21 102.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 69.1 mtt180 -92.23 149.44 21.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.0 t70 85.88 36.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.7 HG12 HD22 ' A' ' 12' ' ' LEU . 3.9 t -87.21 115.1 61.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.963 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.95 164.67 32.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.556 1.819 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.6 mm -80.64 129.93 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.51 -20.98 42.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.13 109.68 3.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -39.89 129.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 49.7 pt -100.11 -33.65 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 24.7 p -166.28 175.26 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.4 mt -128.45 154.55 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 p -134.6 155.58 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 6' ' ' SER . 1.8 m -127.08 -179.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.9 -11.97 41.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 155.71 67.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -17.94 19.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.15 -25.52 58.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.7 -16.74 58.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' ' 60' ' ' TYR . 40.7 mt -65.19 -53.27 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.97 -29.68 43.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.78 -21.23 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 1.5 m-85 -102.66 -11.2 18.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 3.4 tttm -52.87 -21.53 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -126.04 71.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -120.22 142.63 48.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.3 p -139.4 170.32 16.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.959 HD11 HD13 ' A' ' 65' ' ' LEU . 2.9 mp -97.53 -103.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -40.43 106.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.5 p -98.28 -51.91 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.73 -62.13 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.51 126.22 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.64 130.9 37.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -121.43 157.67 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.76 171.64 36.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.98 37.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 m -132.76 140.99 48.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 110.03 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.6 m -54.4 166.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -161.42 -55.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 0.725 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.63 169.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.17 -175.54 41.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 40.1 p -149.48 166.61 28.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -110.7 77.97 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . -130.37 166.74 22.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.4 tt0 -124.02 125.99 45.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -80.1 139.19 36.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.45 96.49 36.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.14 11.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.771 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.61 103.35 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.14 32.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.8 p -64.34 110.14 2.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.6 mt -97.32 9.86 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.68 169.35 9.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.977 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -90.79 32.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.552 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -71.19 129.54 39.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -117.91 -32.59 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.63 150.61 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.74 -175.89 14.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.596 HG21 ' HG2' ' A' ' 71' ' ' ARG . 12.4 m -137.68 127.51 25.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.611 HG21 ' NE1' ' A' ' 27' ' ' TRP . 22.2 mm -63.29 87.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.25 -64.88 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.67 150.9 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.621 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 53.8 m95 -97.39 79.91 2.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.29 -35.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -114.52 152.86 31.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -118.39 179.24 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.29 130.83 44.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.37 16.97 67.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.2 128.9 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 0.717 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -68.07 136.27 53.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -121.01 117.86 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 1.6 m120 -100.57 134.4 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 1.6 tm-20 -38.92 119.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 -29.75 10.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.43 132.71 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 53' ' ' PHE . 42.3 tp -61.15 122.57 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.5 -47.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -171.87 162.61 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.75 138.08 44.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 94.1 t -120.6 136.5 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.653 ' HG3' HG23 ' A' ' 50' ' ' THR . 2.5 mt-10 -96.35 115.81 28.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 51' ' ' VAL . 38.0 p -109.33 167.88 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -54.63 -19.79 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 8.1 tttt -84.49 -55.5 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 175.05 -173.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.226 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.653 HG23 ' HG3' ' A' ' 45' ' ' GLU . 4.7 m -75.56 118.66 18.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -107.09 147.1 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.33 125.71 8.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.419 ' O ' HD12 ' A' ' 40' ' ' LEU . 5.5 t80 -94.11 109.89 21.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.12 158.6 16.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -84.0 147.71 27.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.6 mt -116.07 15.68 16.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -162.93 -179.33 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -113.18 124.42 52.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 p -177.03 -173.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.561 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.2 m-85 -120.63 157.13 30.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.75 114.44 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.656 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -78.26 -64.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -148.37 148.9 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 64' ' ' ILE . 39.2 mt -113.32 74.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.442 HD12 ' HB ' ' A' ' 78' ' ' ILE . 42.7 mt -41.9 -61.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG13 HG21 ' A' ' 70' ' ' THR . 3.2 t -93.43 118.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.37 -177.39 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.517 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.14 127.73 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.229 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 115.97 -28.17 7.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.565 HG21 HG13 ' A' ' 66' ' ' VAL . 52.1 m -52.29 101.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' HG21 ' A' ' 23' ' ' THR . 53.2 mtm180 -88.27 149.05 24.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER 84.31 43.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.6 t -88.35 114.44 59.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.16 42.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.552 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -76.32 133.48 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.58 -12.38 66.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ILE . . . -74.88 108.26 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.567 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.7 mm -39.86 124.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 pt -97.38 -33.72 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 25.0 p -163.08 175.04 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 108.368 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.656 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -129.23 156.11 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 p -129.22 152.1 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.4 -172.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.57 -23.7 10.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.93 64.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -23.31 13.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.13 -16.7 63.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -89.44 -33.73 16.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 60' ' ' TYR . 59.7 mt -46.23 -52.9 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -48.11 -33.56 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 88' ' ' ASP . . . -73.46 -34.43 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.377 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 5' ' ' SER . 22.7 m-85 -86.49 -13.25 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -49.54 -28.52 5.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -124.49 70.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -114.04 142.45 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.7 p -143.75 146.19 32.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.468 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.85 125.73 29.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.62 -40.76 63.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.97 90.71 3.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.053 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 t -157.51 107.37 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.29 163.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.22 -60.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 m 57.28 81.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.28 124.8 3.11 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 74.33 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -57.51 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 t -79.6 121.54 25.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -174.5 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 0.8 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -75.6 110.22 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.02 -151.72 23.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 50.26 88.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.608 0.828 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.43 119.47 23.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . -152.92 167.04 31.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.3 tt0 -143.96 123.15 12.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -79.3 141.0 37.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.7 t -111.97 96.93 36.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.04 9.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.001 HD23 ' O ' ' A' ' 74' ' ' PRO . 32.7 tp -42.11 101.45 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.97 131.25 14.12 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.659 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.9 p -65.69 108.58 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.03 22.76 4.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.6 170.03 8.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.511 1.795 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.54 33.46 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.475 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.0 ttt -71.93 115.83 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -108.37 -26.92 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.6 1.187 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.15 147.24 6.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.87 -179.71 16.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 71' ' ' ARG . 4.1 m -131.0 125.52 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.666 HG21 ' NE1' ' A' ' 27' ' ' TRP . 48.5 mm -64.77 91.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -54.25 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 152.51 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 65.6 m95 -99.23 85.02 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -42.34 -29.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -117.27 151.06 37.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -176.83 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.95 124.14 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.594 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 98.01 -28.27 15.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 134.16 55.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 2.7 tttm -75.98 136.49 40.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.3 117.28 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.36 143.34 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -40.67 123.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.31 -29.71 10.88 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.5 119.74 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 53' ' ' PHE . 50.5 tp -49.8 134.36 20.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 55' ' ' SER . 76.0 mt -98.89 -42.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.736 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -174.6 159.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 33.6 mt-10 -105.63 146.97 28.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.222 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.1 t -128.42 136.61 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.57 118.09 30.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -119.74 163.93 16.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -23.16 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.673 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.28 -49.13 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 164.33 -174.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.1 m -77.19 111.81 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.49 165.95 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.01 113.34 2.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 40' ' ' LEU . 13.9 t80 -83.62 113.56 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -94.48 168.65 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.466 ' CB ' HD11 ' A' ' 41' ' ' ILE . 23.1 t -89.28 152.9 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -97.37 -24.5 15.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -144.13 -177.19 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.51 118.46 33.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.97 -176.65 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE1' ' HD2' ' A' ' 34' ' ' LYS . 22.0 m-85 -121.5 148.88 43.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.411 ' SD ' HD11 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -61.5 98.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.702 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -68.02 -69.64 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 35.5 tptt -145.58 145.63 31.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 64' ' ' ILE . 52.4 mt -110.48 76.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.081 HD13 HD11 ' A' ' 97' ' ' LEU . 42.6 mt -44.38 -60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 70' ' ' THR . 3.8 t -93.83 120.23 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -175.6 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.558 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.66 131.12 34.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.72 -25.31 13.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.145 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.628 HG21 HG13 ' A' ' 66' ' ' VAL . 22.4 m -55.2 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 13.8 mtm-85 -92.48 149.22 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.5 t70 87.23 35.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG12 HD22 ' A' ' 12' ' ' LEU . 3.1 t -87.75 115.66 63.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 1.001 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.08 164.76 32.58 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.8 mm -79.86 132.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.07 -14.88 63.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.12 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.6 108.33 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.529 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.1 mm -39.88 125.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.418 HG23 ' HB2' ' A' ' 12' ' ' LEU . 13.1 pt -102.43 -27.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 p -168.7 174.97 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 108.227 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -126.69 156.29 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLN . 70.4 p -134.71 137.16 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.702 HG13 ' HB2' ' A' ' 62' ' ' ALA . 30.5 m -111.01 172.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.55 -21.35 34.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.576 1.173 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.58 155.28 79.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.781 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -12.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.42 -20.95 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.23 3.31 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.594 HD13 ' HA2' ' A' ' 32' ' ' GLY . 72.9 mt -73.89 -37.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -73.08 -29.61 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.65 68.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.2 m-85 -101.44 -12.84 18.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -43.79 -28.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 92' ' ' PHE . 3.3 p30 -126.66 74.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -115.91 144.25 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 p -146.86 157.1 43.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.081 HD11 HD13 ' A' ' 65' ' ' LEU . 8.1 mp -87.25 71.3 10.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.057 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -147.29 94.94 2.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.34 89.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.52 138.36 52.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -161.08 138.33 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -161.62 88.85 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.5 p -120.2 166.83 12.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.66 97.78 0.16 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.097 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 168.2 25.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.819 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 t 67.31 151.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.3 p -48.48 163.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -44.68 -58.27 3.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 0.741 . . . . 0.0 110.04 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -88.29 89.48 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.055 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.58 -104.16 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.596 1.185 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 p -122.46 142.78 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -107.57 103.51 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.567 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -136.16 -171.79 12.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.8 tt0 -137.61 126.73 24.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 0.704 . . . . 0.0 110.237 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -78.02 137.35 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.4 t -113.36 95.17 34.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.61 13.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.588 HD22 HG12 ' A' ' 73' ' ' VAL . 40.9 tp -47.12 104.84 0.43 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.91 30.74 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -64.39 109.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 mt -95.9 13.87 25.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -157.3 167.64 14.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.058 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.98 -59.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -94.17 32.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.545 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -72.02 130.98 42.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -119.29 -34.53 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.2 148.23 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.56 -171.79 13.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.561 1.163 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.56 HG21 ' HG2' ' A' ' 71' ' ' ARG . 14.6 m -139.94 137.33 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' A' ' 68' ' ' GLU . 39.1 mm -73.27 95.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -56.42 -62.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -157.31 144.85 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 60.4 m95 -88.32 83.61 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.044 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -39.61 -33.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -111.33 174.28 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -132.56 177.21 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.68 129.39 38.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.451 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 81.72 38.19 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.16 169.16 9.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' CE ' ' OE2' ' A' ' 58' ' ' GLU . 1.6 tttm -103.17 136.42 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.408 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 7.2 mt -124.27 133.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 4.0 m120 -119.25 136.87 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -38.06 118.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.89 6.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.11 137.05 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 53' ' ' PHE . 39.7 tp -67.12 117.78 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.5 mt -83.71 -37.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -179.19 164.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 14.7 mt-10 -108.3 144.89 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.15 133.46 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.523 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.3 mt-10 -92.75 119.34 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.411 ' H ' ' HG1' ' A' ' 46' ' ' THR . 13.3 p -121.53 165.87 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -22.04 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.02 -51.46 8.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.93 -174.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.523 HG23 ' HG3' ' A' ' 45' ' ' GLU . 10.1 m -76.9 111.77 12.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.19 164.36 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.26 107.47 1.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.493 ' O ' HD12 ' A' ' 40' ' ' LEU . 27.3 t80 -76.38 114.3 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.72 164.88 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -86.21 156.72 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.25 -19.68 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' OE2' ' CE ' ' A' ' 34' ' ' LYS . 14.8 tt0 -102.12 107.22 18.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p -151.68 -173.28 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.348 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -120.07 152.84 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.18 126.16 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.501 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -94.57 -62.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -147.16 147.08 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 64' ' ' ILE . 55.2 mt -112.87 75.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.926 HD13 HD11 ' A' ' 97' ' ' LEU . 62.6 mt -45.35 -58.67 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.617 HG13 HG21 ' A' ' 70' ' ' THR . 2.2 t -97.13 122.09 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.61 -172.22 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.504 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -87.71 132.79 34.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 107.5 -23.82 25.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.617 HG21 HG13 ' A' ' 66' ' ' VAL . 27.1 m -54.82 102.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.56 ' HG2' HG21 ' A' ' 23' ' ' THR . 28.1 mtm105 -89.3 149.55 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 9.0 t0 84.17 44.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.588 HG12 HD22 ' A' ' 12' ' ' LEU . 34.6 t -90.21 114.27 60.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 156.34 43.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.545 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -74.34 140.06 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.79 -13.56 62.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.75 108.74 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.572 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.5 mm -40.32 126.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 pt -97.4 -29.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -169.98 174.83 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -128.62 156.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 p -127.6 153.48 46.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.9 m -127.73 -172.19 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.07 -27.38 3.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.88 157.26 72.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.394 0.702 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.539 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.16 -23.84 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -81.82 -4.58 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 98.6 mt -69.42 -58.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -28.21 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.69 60.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.6 m-85 -104.18 -18.83 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -51.3 -22.44 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -127.76 74.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.239 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.31 138.69 53.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -135.84 164.98 26.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.926 HD11 HD13 ' A' ' 65' ' ' LEU . 5.6 mp -90.42 84.55 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 172.14 112.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.97 168.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.97 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 1.3 t 65.37 162.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.959 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 100' ' ' SER . . . 67.44 142.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -176.42 155.46 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.37 143.04 9.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.5 150.74 20.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 123.09 7.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.9 t -69.38 159.41 33.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.5 m -112.07 134.46 53.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.038 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.458 1.098 . . . . 0.0 110.977 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -75.73 -59.7 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.036 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.02 132.63 40.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.97 -119.41 2.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.31 154.23 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -103.49 85.4 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.87 -176.55 14.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.7 tt0 -143.62 121.81 12.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 110.301 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -80.87 136.73 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.28 98.09 38.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.26 7.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.888 HD22 HG12 ' A' ' 73' ' ' VAL . 53.4 tp -41.19 100.89 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 132.87 16.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.714 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.7 p -67.54 109.13 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.2 25.34 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -154.5 172.0 6.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.993 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -62.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 p -98.11 40.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.473 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 5.2 ttt -80.54 118.61 22.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -109.76 -22.89 11.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.0 146.6 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 173.56 19.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.433 HG23 ' HG2' ' A' ' 71' ' ' ARG . 85.1 m -122.59 127.48 49.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.457 HG13 ' CG1' ' A' ' 66' ' ' VAL . 13.5 mm -71.65 88.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -47.83 -64.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 4.4 mpp_? -146.68 170.14 17.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 37.8 m95 -114.3 80.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.79 -35.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -113.97 167.59 10.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -133.88 179.09 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.48 121.0 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.28 49.73 4.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.98 124.43 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.799 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 2.3 tttm -62.51 137.64 58.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.423 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 4.6 mt -124.05 142.4 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.362 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -122.57 134.6 54.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.2 125.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.4 -18.98 56.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.75 126.44 29.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.02 115.9 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mt -80.24 -46.99 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.587 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -165.97 164.35 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 14.8 mt-10 -108.44 137.63 46.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.0 t -119.14 130.54 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -91.28 117.18 29.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 46' ' ' THR . 19.1 p -118.47 166.81 12.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.26 -21.15 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.67 -51.54 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.94 -174.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.4 m -77.5 111.71 13.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.39 163.89 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.06 105.19 0.96 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -76.04 111.18 11.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 0.707 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.84 151.59 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -66.67 150.07 49.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -101.3 -18.04 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -144.3 178.66 7.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -101.13 98.62 9.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.218 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 p -146.4 -174.37 4.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.521 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.1 m-85 -120.87 157.1 30.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.2 tpp -65.78 112.88 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -82.7 -61.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.2 tptm -144.78 150.99 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 64' ' ' ILE . 20.7 mt -120.25 91.52 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD12 ' HB ' ' A' ' 78' ' ' ILE . 25.0 mt -61.09 -58.42 8.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 79' ' ' ILE . 20.5 t -80.49 122.63 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.49 -160.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -94.6 136.01 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.83 2.06 69.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.424 ' HB ' HG12 ' A' ' 66' ' ' VAL . 51.6 m -65.11 107.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -98.55 167.02 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.9 t70 81.81 28.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.888 HG12 HD22 ' A' ' 12' ' ' LEU . 8.7 t -87.88 113.44 54.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.862 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.0 161.35 38.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.7 mm -75.79 132.23 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.37 -21.23 47.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.11 110.21 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.519 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -40.54 129.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.573 ' HA ' HG23 ' A' ' 66' ' ' VAL . 27.3 pt -99.31 -42.1 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.3 p -158.85 169.12 25.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.4 mt -122.35 154.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -129.67 146.89 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 88' ' ' ASP . 3.2 m -124.37 -174.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.21 -8.26 27.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -149.73 157.57 38.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -26.18 11.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.93 -25.17 63.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.523 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -91.94 -23.59 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.521 HD11 ' HB2' ' A' ' 60' ' ' TYR . 44.5 mt -60.35 -37.5 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.85 -34.98 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.26 -31.32 62.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -88.8 -17.97 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -21.35 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -125.35 70.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -120.32 136.55 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.5 p -136.02 153.85 51.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.29 96.21 8.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -172.24 95.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 109.345 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.6 p -163.53 152.47 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.2 p -96.3 141.55 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.33 124.13 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.76 132.71 52.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.2 p -155.53 148.46 24.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.19 153.25 13.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 91.52 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.564 1.823 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.52 97.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -130.28 -58.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.058 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -162.6 160.08 25.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -111.09 132.82 53.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.15 99.64 1.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -178.95 146.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 p -111.61 102.2 10.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -130.17 179.06 17.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.493 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.9 tt0 -141.27 121.84 14.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -79.36 137.87 37.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 57.6 t -110.21 98.9 37.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.031 HD23 ' O ' ' A' ' 74' ' ' PRO . 14.3 tp -43.65 102.44 0.28 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 131.24 14.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 111.032 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.651 ' HB3' HG21 ' A' ' 75' ' ' ILE . 85.7 p -65.9 108.69 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -92.18 24.71 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.95 166.66 15.89 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 p -102.77 38.94 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.587 1.179 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.467 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 4.8 ttt -83.25 112.93 20.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -104.56 -25.02 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.05 145.21 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.22 -176.75 14.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.432 HG21 ' HG2' ' A' ' 71' ' ' ARG . 12.1 m -133.71 130.11 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.665 HG21 ' NE1' ' A' ' 27' ' ' TRP . 41.8 mm -67.75 89.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.08 -63.62 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.52 157.5 39.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.665 ' NE1' HG21 ' A' ' 24' ' ' ILE . 63.9 m95 -104.7 78.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.076 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' TRP . 35.9 mmtt -111.61 164.76 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.243 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -129.55 179.54 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.09 126.44 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.522 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 88.1 5.27 76.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.23 132.17 34.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -69.77 135.84 50.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.04 104.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 30.1 m-80 -90.31 132.8 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -38.39 120.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 -42.8 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.3 153.69 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 53' ' ' PHE . 60.2 tp -80.48 128.62 33.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.3 mt -87.09 -44.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.553 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -174.81 167.82 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.42 160.3 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.6 t -140.3 135.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.349 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.75 125.42 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.9 p -125.96 173.9 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.51 -18.11 26.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 9.1 mptt -87.04 -57.04 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 174.22 -175.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -79.32 112.27 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.46 164.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.58 109.9 1.84 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.687 ' O ' HD12 ' A' ' 40' ' ' LEU . 9.1 t80 -79.95 112.06 16.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 0.71 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 167.53 12.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -90.7 135.7 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.5 mt -109.88 19.68 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -168.64 172.33 8.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.26 127.62 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p 179.83 -173.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.751 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.5 m-85 -125.47 152.85 44.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.2 tpp -61.47 106.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.598 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -73.21 -63.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -150.16 148.44 28.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 64' ' ' ILE . 67.5 mt -112.61 75.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.0 mt -44.34 -60.21 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 70' ' ' THR . 3.2 t -93.81 116.11 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.56 -176.32 5.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -82.69 131.55 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.25 -28.01 10.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.615 HG21 HG13 ' A' ' 66' ' ' VAL . 52.2 m -53.42 101.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 0.719 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 22.5 mtp180 -90.97 151.22 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 84.82 38.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.546 HG12 HD22 ' A' ' 12' ' ' LEU . 3.7 t -90.37 114.08 59.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 1.031 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.67 32.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.651 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.5 mm -80.39 130.39 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.45 -18.66 53.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.05 109.09 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.525 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.2 mm -40.04 128.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.487 ' HA ' HG23 ' A' ' 66' ' ' VAL . 38.1 pt -102.74 -32.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.9 p -162.0 173.32 14.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -126.11 156.32 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 p -129.79 144.49 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -120.53 -172.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.07 -12.37 27.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.5 157.48 33.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.653 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -29.17 8.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.08 -21.82 47.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.61 -35.42 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.751 HD11 ' HB2' ' A' ' 60' ' ' TYR . 95.3 mt -41.06 -53.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -45.93 -50.29 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 22.8 m-85 -81.61 -9.51 59.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -32.17 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -118.58 71.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -116.08 148.59 40.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.0 p -145.37 146.38 31.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.1 143.53 33.87 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -145.34 -47.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.2 m 56.03 167.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.943 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m 66.94 123.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 63.95 84.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -165.03 140.87 5.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 m -89.61 145.54 25.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 110.063 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.38 160.53 9.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -51.62 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 m 48.03 93.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.81 -58.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.134 . . . . 0.0 110.932 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -160.74 92.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.804 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -74.7 118.43 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.97 90.2 0.13 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -149.82 149.48 30.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.025 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -138.17 76.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.944 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -127.41 -170.62 12.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 tt0 -144.04 124.18 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -80.28 135.93 36.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.93 98.09 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.88 124.18 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.961 HD23 ' O ' ' A' ' 74' ' ' PRO . 51.2 tp -40.07 100.16 0.21 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -75.04 131.7 14.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.624 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.8 p -65.49 107.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -91.39 22.38 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -152.27 171.34 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -63.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 p -93.69 34.44 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.481 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.5 ttt -72.7 112.25 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.76 -24.41 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.51 151.11 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.74 -175.21 13.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.495 HG21 ' HG2' ' A' ' 71' ' ' ARG . 6.1 m -136.0 130.51 33.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 110.447 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.652 HG21 ' NE1' ' A' ' 27' ' ' TRP . 37.8 mm -68.87 89.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -51.59 -64.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.65 157.51 43.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.694 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 50.3 m95 -105.56 80.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' TRP . 18.8 tp10 -37.92 -36.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 34' ' ' LYS . 27.8 mmtt -112.03 162.84 14.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -128.38 175.05 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.94 130.8 44.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.48 27.22 57.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.92 143.23 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 1.5 tttm -78.02 136.3 37.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 21.1 mt -124.17 140.64 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -126.98 137.58 53.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.05 121.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -43.49 1.66 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -50.71 123.61 9.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 53' ' ' PHE . 60.8 tp -53.76 137.85 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 35.8 mt -102.35 -42.42 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.694 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -171.65 160.97 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 27.0 mt-10 -105.81 155.8 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.72 128.89 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.01 115.72 26.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 48' ' ' LYS . 26.3 p -118.62 160.48 21.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.56 -25.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.634 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mttt -78.01 -52.39 8.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.366 1.041 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 168.0 -174.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.8 m -76.77 112.93 13.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.56 164.95 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.88 105.97 0.8 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.585 1.178 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.847 ' O ' HD12 ' A' ' 40' ' ' LEU . 23.2 t80 -74.31 119.48 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 0.731 . . . . 0.0 111.051 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.88 162.18 14.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.439 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 12.6 t -76.26 145.06 39.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.21 -30.33 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -174.06 178.03 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -57.17 142.47 42.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.4 p 170.39 -174.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.903 ' HB2' HD11 ' A' ' 89' ' ' ILE . 3.9 m-85 -139.61 152.52 46.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.9 tpp -65.08 121.15 14.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.659 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -89.91 -62.53 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -147.61 148.07 30.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 64' ' ' ILE . 52.4 mt -113.91 76.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.923 HD13 HD11 ' A' ' 97' ' ' LEU . 57.3 mt -47.46 -58.22 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.556 HG13 HG21 ' A' ' 70' ' ' THR . 2.6 t -96.63 123.58 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.09 179.73 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.61 129.71 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 110.356 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 113.17 -29.59 7.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.556 HG21 HG13 ' A' ' 66' ' ' VAL . 71.6 m -51.32 102.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 44.4 mtp180 -91.83 151.31 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER 85.44 34.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.799 HG12 HD22 ' A' ' 12' ' ' LEU . 5.9 t -84.17 114.9 57.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.961 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.06 36.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.7 mm -79.63 130.84 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.28 -17.03 57.5 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.68 109.15 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.533 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.0 mm -40.3 126.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 47.0 pt -97.62 -33.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.0 p -166.18 174.71 8.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -127.21 156.74 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 58.9 p -132.87 160.91 35.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.659 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.4 m -131.11 -171.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.65 -14.58 17.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -142.71 158.53 59.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.576 0.81 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -76.93 -45.57 27.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.99 -21.1 65.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.903 HD11 ' HB2' ' A' ' 60' ' ' TYR . 16.8 mt -58.6 -49.98 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.63 -33.95 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.61 -17.35 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.0 m-85 -104.9 -14.21 15.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -54.37 -22.2 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -127.39 73.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -121.15 146.37 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 p -138.34 167.37 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.923 HD11 HD13 ' A' ' 65' ' ' LEU . 2.4 mp -94.42 -177.38 4.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 53.18 95.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.2 m 62.34 109.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -151.76 -58.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.12 -61.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.607 1.192 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.58 96.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.0 t -178.91 82.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.58 134.92 46.11 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.545 1.813 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.47 86.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.67 159.43 22.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.067 . . . . 0.0 109.95 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.76 167.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 0.814 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 p -139.89 122.35 16.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.94 89.65 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -162.16 121.44 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 110.019 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 t -116.95 100.33 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -132.56 -172.14 12.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 111.036 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -143.5 122.2 12.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -80.47 137.21 36.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG11 ' HE2' ' A' ' 53' ' ' PHE . 42.7 t -110.6 98.91 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.94 123.82 8.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.978 HD23 ' O ' ' A' ' 74' ' ' PRO . 24.4 tp -40.22 100.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.51 12.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.579 1.831 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.622 ' HB3' HG21 ' A' ' 75' ' ' ILE . 80.5 p -63.27 108.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -92.06 23.68 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.03 169.48 10.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -61.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.6 p -91.79 31.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.48 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 1.9 ttt -71.21 111.79 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.3 -25.68 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.15 151.11 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.13 -175.19 13.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.563 HG21 ' HG2' ' A' ' 71' ' ' ARG . 16.4 m -135.71 131.79 36.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 0.767 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.623 HG22 ' HA ' ' A' ' 68' ' ' GLU . 50.8 mm -69.53 90.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -51.83 -63.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -156.9 159.09 37.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 74.8 m95 -105.08 84.7 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.883 ' HG3' HD23 ' A' ' 40' ' ' LEU . 1.3 mm-40 -39.35 -32.99 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -114.45 167.29 10.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.54 -178.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -72.17 126.61 30.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.756 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 93.56 -17.38 58.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.87 146.77 54.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttt -81.59 138.16 35.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 40.5 mt -123.3 120.92 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -108.46 141.47 40.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.27 124.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.94 -41.49 2.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.38 127.41 15.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 0.794 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.883 HD23 ' HG3' ' A' ' 28' ' ' GLU . 14.6 tp -58.04 134.16 56.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.6 mt -100.46 -35.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.654 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -177.56 169.31 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 54.5 mt-10 -116.62 143.06 46.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.67 134.55 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -95.56 113.66 25.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.5 p -116.43 162.41 17.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -26.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.661 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 16.6 tttt -76.53 -51.02 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 165.71 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.5 m -76.83 113.63 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.26 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.541 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -122.85 114.35 2.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.598 ' O ' HD12 ' A' ' 40' ' ' LEU . 4.1 t80 -80.92 117.37 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.05 153.32 19.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.258 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.401 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 27.4 t -66.22 158.04 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.085 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -97.9 -20.6 17.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -179.97 175.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.7 135.72 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.6 p 179.9 -170.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.81 ' CB ' HD11 ' A' ' 89' ' ' ILE . 4.5 m-85 -134.58 147.79 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.53 102.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.606 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -68.37 -68.84 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -147.97 150.6 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 64' ' ' ILE . 67.3 mt -115.01 75.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.193 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 97' ' ' LEU . 48.6 mt -44.96 -59.83 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.701 HG13 HG21 ' A' ' 70' ' ' THR . 3.3 t -91.99 119.81 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.23 -177.29 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 24' ' ' ILE . 4.0 pm0 -83.63 133.77 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.88 -22.8 27.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.701 HG21 HG13 ' A' ' 66' ' ' VAL . 17.8 m -53.55 102.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 23' ' ' THR . 94.7 mtt180 -91.98 149.56 21.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 t0 82.26 40.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 12' ' ' LEU . 4.6 t -89.44 116.82 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.978 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.7 Cg_endo -74.95 161.63 38.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.1 mm -77.62 134.94 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.31 -20.69 49.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.04 109.22 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.488 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.7 mm -40.45 126.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 12' ' ' LEU . 27.9 pt -99.71 -29.02 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 30.9 p -168.97 173.79 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.246 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.606 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -125.29 156.47 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 p -128.35 153.05 47.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -131.78 176.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.94 -1.56 48.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 14.2 pttm -160.91 157.63 23.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.591 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -31.29 6.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.11 -25.39 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.29 -37.78 16.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.81 HD11 ' CB ' ' A' ' 60' ' ' TYR . 95.8 mt -42.63 -51.97 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.22 72.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.6 m-85 -86.5 -8.47 57.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -58.69 -36.32 74.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -113.01 70.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.4 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -115.74 143.25 45.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.5 p -144.62 143.26 30.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.577 ' CD1' HD13 ' A' ' 65' ' ' LEU . 2.0 mp -79.39 67.06 5.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -135.95 92.83 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.58 148.92 7.94 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -138.93 103.7 4.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.96 94.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.86 94.47 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.37 107.59 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.1 97.71 1.92 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 60.65 5.46 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t -56.2 141.61 40.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.0 p -96.89 -57.73 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.096 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t 179.47 112.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.57 98.34 7.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.926 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.88 -179.92 18.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.577 1.173 . . . . 0.0 111.009 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.86 -65.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m 64.36 61.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -124.09 -169.17 13.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.4 tt0 -142.69 122.19 13.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -79.88 138.57 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.8 t -112.4 96.35 35.44 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 74' ' ' PRO . 57.7 tp -42.86 102.06 0.26 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CG ' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.06 132.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.655 ' HB3' HG21 ' A' ' 75' ' ' ILE . 84.1 p -66.68 108.79 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.87 23.67 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -158.29 166.47 16.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -55.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.3 p -95.8 32.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.462 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.9 ttt -78.14 110.46 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -102.45 -25.3 13.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.61 149.39 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -179.56 16.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.501 HG21 ' HG2' ' A' ' 71' ' ' ARG . 3.3 m -134.83 123.66 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.54 103.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.53 -60.69 2.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -147.32 155.21 41.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 10.7 m95 -97.25 78.22 2.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -33.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -120.79 159.99 24.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -127.97 174.64 9.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.49 125.21 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.0 42.48 8.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.1 tttm -69.27 137.34 53.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.9 mt -124.39 147.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.25 134.16 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.89 121.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.74 -40.91 2.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.89 138.08 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 53' ' ' PHE . 61.9 tp -62.99 136.94 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 55' ' ' SER . 15.3 mt -103.93 -39.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.579 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -172.33 153.67 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HD21 ' A' ' 40' ' ' LEU . 6.2 mt-10 -105.07 141.56 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.9 t -124.07 145.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.78 117.86 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.41 ' H ' ' HG1' ' A' ' 46' ' ' THR . 13.6 p -114.42 169.02 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.322 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.63 -18.52 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.645 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.98 -49.8 7.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.26 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -77.12 113.9 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.512 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.92 165.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.21 110.49 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.74 ' O ' HD12 ' A' ' 40' ' ' LEU . 25.5 t80 -80.47 115.72 20.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -92.03 161.4 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' ' 41' ' ' ILE . 38.6 t -71.91 150.15 44.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.97 -14.04 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.397 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -176.65 168.16 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.03 129.85 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.406 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -176.1 176.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 108.355 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -121.82 147.54 45.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -61.39 117.62 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.736 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -86.11 -54.25 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 9.3 tptt -154.33 149.48 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.527 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 72.8 mt -116.45 84.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.049 HD13 HD11 ' A' ' 97' ' ' LEU . 41.0 mt -51.58 -57.47 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.078 HG13 HG21 ' A' ' 70' ' ' THR . 12.3 t -83.83 132.55 31.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.41 -157.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 3.0 mt-10 -100.34 134.25 43.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 -0.28 84.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 1.078 HG21 HG13 ' A' ' 66' ' ' VAL . 39.5 m -56.28 102.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 8.6 mtm180 -93.3 148.14 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t0 83.96 40.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.775 HG12 HD22 ' A' ' 12' ' ' LEU . 3.3 t -91.48 114.11 60.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.851 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.97 34.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.655 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.9 mm -79.75 131.72 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.04 62.85 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.38 109.51 4.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.566 ' HB ' HD12 ' A' ' 65' ' ' LEU . 3.8 mm -41.4 128.19 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.55 ' HA ' HG23 ' A' ' 66' ' ' VAL . 39.8 pt -101.03 -30.62 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.8 p -170.2 172.67 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 108.31 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -124.1 155.32 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLN . 77.1 p -131.6 150.95 51.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.736 HG13 ' HB2' ' A' ' 62' ' ' ALA . 15.7 m -130.26 -171.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.87 -25.14 5.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 153.94 78.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.6 20.68 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.92 -36.05 64.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -70.83 -18.33 62.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' LYS . 43.4 mt -64.65 -53.63 39.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.59 -31.11 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.94 -33.02 63.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.5 m-85 -87.52 -19.71 27.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -46.25 -30.47 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -119.9 71.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -118.34 156.82 28.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 p -145.59 167.49 22.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.049 HD11 HD13 ' A' ' 65' ' ' LEU . 4.7 mp -92.12 79.06 5.17 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -148.17 133.18 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.0 m -107.63 -54.23 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.5 m -165.87 144.07 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.0 -61.87 2.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.3 -60.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -170.24 -58.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 51.4 -145.48 12.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.404 1.065 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 158.77 42.32 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t 178.71 104.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -58.48 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -54.63 133.83 46.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t 50.25 93.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.81 95.55 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t 58.74 91.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 p -114.85 117.39 30.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.063 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -133.39 174.72 20.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -127.57 124.12 37.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HG2' HG21 ' A' ' 78' ' ' ILE . 19.4 mttt -75.44 140.37 42.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 43.3 t -111.19 98.02 37.67 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.4 8.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 74' ' ' PRO . 42.5 tp -42.64 101.76 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.572 1.827 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.647 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.3 p -64.72 107.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 mt -91.83 22.42 4.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.34 171.0 7.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.982 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -63.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 p -93.06 35.0 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.477 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.4 ttt -74.86 112.87 11.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.39 -22.02 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.43 152.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.77 -177.11 14.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.498 HG21 ' HG2' ' A' ' 71' ' ' ARG . 8.1 m -132.72 131.84 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.572 HG22 ' HA ' ' A' ' 68' ' ' GLU . 31.1 mm -68.94 86.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -48.65 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.382 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.66 157.38 35.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.63 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 71.6 m95 -102.62 81.6 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 3.2 tp10 -38.19 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.155 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' TRP . 18.8 mmtt -114.12 173.77 6.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -135.17 178.57 6.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.24 130.48 43.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.7 24.05 63.29 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.83 129.63 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.418 0.716 . . . . 0.0 109.395 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -64.65 133.8 52.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.444 HG21 HG12 ' A' ' 41' ' ' ILE . 7.9 mt -123.94 104.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -87.8 145.85 25.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.087 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 121.78 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.3 -31.27 8.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -56.59 126.29 26.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.362 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 53' ' ' PHE . 26.9 tp -56.17 126.39 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.401 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.444 HG12 HG21 ' A' ' 35' ' ' ILE . 59.9 mt -90.97 -44.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 109.214 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.63 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -173.67 164.22 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 11.5 mt-10 -110.43 140.95 44.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -120.44 138.12 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 50' ' ' THR . 2.4 mt-10 -98.2 112.09 24.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.9 p -114.07 165.33 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -50.07 -24.3 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 7.7 tttp -79.18 -54.28 6.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 169.84 -175.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 45' ' ' GLU . 12.6 m -77.27 108.96 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.02 160.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.87 113.15 2.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 40' ' ' LEU . 8.4 t80 -81.17 113.33 19.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.27 154.16 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.432 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 17.2 t -78.86 135.35 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -109.51 21.38 17.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.7 169.68 14.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.28 109.27 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -163.0 -173.19 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.326 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.718 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.4 m-85 -124.24 157.03 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.402 ' O ' HD13 ' A' ' 89' ' ' ILE . 54.2 tpp -65.29 110.57 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.989 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -75.8 -58.99 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -153.3 148.73 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.659 HG22 ' O ' ' A' ' 64' ' ' ILE . 42.1 mt -112.08 78.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD13 HD11 ' A' ' 97' ' ' LEU . 39.9 mt -46.31 -59.81 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG13 HG21 ' A' ' 70' ' ' THR . 4.4 t -95.29 121.52 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.82 -173.23 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.572 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -88.5 132.91 34.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.33 -20.63 30.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.536 HG21 HG13 ' A' ' 66' ' ' VAL . 82.3 m -59.42 104.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 2.7 mtt-85 -93.19 155.03 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER 84.38 30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.679 HG12 HD22 ' A' ' 12' ' ' LEU . 5.5 t -82.54 114.38 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.835 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -74.96 163.34 35.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.647 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.6 mm -79.92 130.98 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.97 -16.39 58.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.29 115.15 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.349 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.588 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.4 mm -47.2 124.61 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.8 pt -97.86 -37.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.24 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.9 p -158.58 171.9 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.305 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.495 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -123.68 156.83 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 62.3 p -131.51 150.36 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.431 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.989 HG13 ' HB2' ' A' ' 62' ' ' ALA . 22.3 m -126.96 -168.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.67 -12.64 14.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.411 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -145.76 153.1 50.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.25 21.54 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -75.49 -38.73 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -72.13 -16.52 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.718 HD11 ' HB2' ' A' ' 60' ' ' TYR . 18.4 mt -65.09 -51.17 69.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -46.18 -41.95 13.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.54 80.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.9 m-85 -81.23 -20.32 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ILE . 1.6 tttm -43.92 -36.97 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.208 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -116.58 68.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -112.2 139.6 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.9 p -140.4 141.58 35.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 65' ' ' LEU . 7.2 mp -76.31 139.72 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -161.69 -53.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.1 p -145.54 171.51 14.57 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.61 80.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.59 63.6 0.73 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.89 111.08 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.73 109.24 18.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.75 -165.51 10.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.27 4.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.5 t -80.32 108.83 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.59 159.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.93 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.6 1.187 . . . . 0.0 111.007 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.91 118.38 26.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 0.799 . . . . 0.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.36 -52.95 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.62 -69.15 2.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.12 108.91 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 110.04 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -69.61 80.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -137.56 175.62 21.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.2 tt0 -133.91 124.3 26.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 0.793 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -81.71 140.8 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -112.09 96.81 36.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.417 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.1 Cg_endo -74.95 122.44 7.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.002 HD23 ' O ' ' A' ' 74' ' ' PRO . 28.0 tp -40.62 100.5 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 131.37 14.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.602 ' HB3' HG21 ' A' ' 75' ' ' ILE . 84.7 p -64.27 108.26 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.049 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.46 23.76 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -154.2 170.9 7.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -96.65 37.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.2 ttt -77.36 109.92 11.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -25.31 13.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.27 149.23 7.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -133.81 -171.62 12.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.567 HG21 ' HG2' ' A' ' 71' ' ' ARG . 15.3 m -138.76 131.86 29.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.452 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 68' ' ' GLU . 48.5 mm -68.76 92.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -53.88 -63.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -150.57 162.29 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.791 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 42.7 m95 -110.17 81.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.047 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -42.82 -28.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -117.57 154.33 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.47 175.62 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.59 129.27 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.542 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 81.62 29.86 38.12 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.38 1.05 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.34 140.75 46.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.45 134.11 37.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.376 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.559 HD13 HG12 ' A' ' 41' ' ' ILE . 61.2 mt -122.27 138.21 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.05 142.61 47.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.6 119.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.4 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 101.28 -43.01 1.8 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.56 121.36 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 53' ' ' PHE . 47.3 tp -50.55 134.73 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.559 HG12 HD13 ' A' ' 35' ' ' ILE . 53.2 mt -103.74 -38.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.611 1.194 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.791 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 163.03 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 57.7 mt-10 -107.9 164.89 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -143.51 135.62 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.91 118.81 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HG1' ' A' ' 46' ' ' THR . 14.2 p -120.13 169.36 10.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.45 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -19.45 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.652 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -86.07 -50.35 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -77.1 114.4 15.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.69 166.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.62 112.12 1.9 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.5 t80 -82.4 116.57 21.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 0.804 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 29.1 mt-10 -92.66 167.21 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.437 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 23.2 t -81.95 154.03 25.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.1 -24.35 16.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.42 -173.23 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -89.14 133.15 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.3 p 179.35 -171.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.941 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.4 m-85 -127.62 159.93 33.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 tpp -68.65 111.07 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -75.22 -58.4 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' ILE . 52.0 tptt -155.82 144.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.659 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.3 mt -109.91 76.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.734 HD13 HD11 ' A' ' 97' ' ' LEU . 54.3 mt -46.43 -59.2 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.664 HG13 HG21 ' A' ' 70' ' ' THR . 3.1 t -94.44 120.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.5 -174.89 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.583 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.28 132.23 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 108.21 -22.67 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.664 HG21 HG13 ' A' ' 66' ' ' VAL . 54.5 m -54.92 102.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 0.797 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HG2' HG21 ' A' ' 23' ' ' THR . 76.1 mtm180 -88.65 155.02 19.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER 77.47 44.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.888 HG12 HD22 ' A' ' 12' ' ' LEU . 11.5 t -91.89 114.35 61.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 1.002 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.4 mm -79.96 130.42 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.06 -16.01 58.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.74 107.84 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.508 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.5 mm -40.81 122.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 23.5 pt -94.19 -35.47 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 p -161.07 176.32 11.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.265 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.655 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.4 mt -130.0 155.06 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p -127.74 158.54 37.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.32 -173.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.19 -17.53 13.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.11 158.08 45.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -21.77 15.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.64 -25.23 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.28 -33.92 19.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.941 HD11 ' HB2' ' A' ' 60' ' ' TYR . 61.3 mt -44.13 -48.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.59 -46.11 66.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.15 75.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 16.6 m-85 -86.22 -6.96 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.8 tttt -64.97 -12.69 52.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -136.08 71.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -120.65 120.2 35.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.2 p -115.66 156.85 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.734 HD11 HD13 ' A' ' 65' ' ' LEU . 4.0 mp -94.06 112.84 24.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 t70 176.76 -64.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t -156.86 110.74 2.67 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.9 p -51.97 179.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.937 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -158.63 97.18 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.97 113.11 17.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.5 p -129.21 118.82 22.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.924 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.65 97.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -43.06 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -136.72 -61.42 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -177.84 -57.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.17 156.17 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -65.26 -55.01 20.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.34 124.91 1.35 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 m -150.26 123.5 8.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 0.769 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -161.24 139.83 9.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.955 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . -131.75 171.05 21.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.534 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.3 tt0 -120.21 128.35 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -82.4 138.19 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 43.6 t -110.63 98.94 39.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 126.15 9.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.83 HD23 ' O ' ' A' ' 74' ' ' PRO . 56.3 tp -43.11 102.16 0.27 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.02 132.62 15.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.633 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.8 p -66.4 108.85 2.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.13 24.34 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -156.4 168.84 11.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.596 1.185 . . . . 0.0 110.003 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -58.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 p -96.41 35.77 1.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.482 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.7 ttt -77.69 115.66 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -108.44 -23.3 11.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.22 150.16 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.4 -179.31 16.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 ' HG2' ' A' ' 71' ' ' ARG . 4.9 m -131.49 130.53 42.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.642 HG22 ' HA ' ' A' ' 68' ' ' GLU . 37.2 mm -69.72 89.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.391 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.03 -64.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.11 153.79 32.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 110.219 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' NE1' HG21 ' A' ' 24' ' ' ILE . 68.3 m95 -99.12 79.9 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 108.052 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' TRP . 38.4 tp10 -38.31 -32.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 39.0 mmtt -109.98 167.19 10.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.232 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -130.73 176.17 8.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.14 137.23 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.55 40.67 90.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.84 121.04 35.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 0.788 . . . . 0.0 109.368 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 5.0 tttt -58.14 137.66 56.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.937 HG23 ' CG ' ' A' ' 39' ' ' ASP . 8.1 mt -124.14 136.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -113.52 131.72 55.96 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 121.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 -34.3 5.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.937 ' CG ' HG23 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -49.95 162.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 53' ' ' PHE . 58.7 tp -90.93 114.16 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -76.67 -46.33 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.27 165.37 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -106.79 154.48 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.5 t -135.68 134.31 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.6 mt-10 -95.76 119.93 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 48' ' ' LYS . 54.1 p -121.54 165.48 15.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -77.57 -70.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.81 -174.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.482 HG23 ' HG3' ' A' ' 45' ' ' GLU . 6.7 m -76.66 113.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.08 165.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.91 106.67 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.482 ' O ' HD12 ' A' ' 40' ' ' LEU . 9.9 t80 -76.79 114.76 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 0.5 OUTLIER -93.07 163.05 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 10.0 t -75.66 160.45 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.0 -18.64 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 55' ' ' SER . 5.9 pt-20 -162.57 171.16 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -82.67 112.85 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.7 p -156.22 -174.33 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -123.46 148.78 45.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 54.6 tpp -61.58 114.68 3.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.077 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.608 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -81.45 -63.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' ILE . 10.9 tptt -149.51 146.65 27.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 64' ' ' ILE . 29.1 mt -110.09 79.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.949 HD13 HD11 ' A' ' 97' ' ' LEU . 37.4 mt -47.91 -59.47 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.547 HG13 HG21 ' A' ' 70' ' ' THR . 3.8 t -94.83 122.32 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.27 -174.49 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -85.73 131.56 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.46 -22.3 26.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.422 1.076 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.547 HG21 HG13 ' A' ' 66' ' ' VAL . 99.8 m -57.56 103.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 85.8 mtm-85 -94.42 151.66 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 87.27 31.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.698 HG12 HD22 ' A' ' 12' ' ' LEU . 4.2 t -84.41 115.35 60.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.83 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.15 33.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.441 1.758 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.633 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.4 mm -78.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.84 -20.11 50.51 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.426 1.078 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.04 110.16 2.83 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -40.09 130.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 44.5 pt -102.17 -33.05 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -165.52 174.34 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.598 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -127.71 155.7 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.8 p -130.36 156.03 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 62' ' ' ALA . 14.8 m -133.81 -172.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.4 1.063 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.42 -9.55 19.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.58 1.175 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.87 154.79 44.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.61 16.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.79 -33.36 73.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -78.41 -36.36 45.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 93' ' ' LYS . 49.2 mt -44.59 -53.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.07 -33.95 65.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.247 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.11 -19.48 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.0 m-85 -102.55 -12.27 17.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.89 -20.55 23.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -125.98 68.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -121.23 149.82 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -141.46 168.6 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.949 HD11 HD13 ' A' ' 65' ' ' LEU . 5.1 mp -92.32 115.87 28.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -161.25 -50.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.62 101.78 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.3 m -98.66 -56.18 2.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.22 155.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.7 95.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.4 p -114.44 -58.48 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 142.89 165.03 10.45 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.434 1.755 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.5 m -108.81 134.0 52.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.75 95.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.935 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -158.41 120.69 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.933 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.74 136.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.72 72.19 0.89 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 p -156.27 121.22 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 m -150.66 93.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.47 -168.01 12.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -135.44 122.76 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -78.16 141.9 38.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 40.7 t -112.71 96.08 35.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.9 122.93 7.56 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.968 HD23 ' O ' ' A' ' 74' ' ' PRO . 44.8 tp -40.01 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.0 131.62 14.5 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.76 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.652 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.4 p -65.63 108.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -92.24 23.69 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.476 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.51 170.84 7.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -63.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -93.27 35.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.476 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.5 ttt -73.34 115.31 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -108.24 -24.3 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.59 157.02 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.89 -178.71 17.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 71' ' ' ARG . 5.6 m -134.8 123.07 22.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.39 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.715 HG21 ' NE1' ' A' ' 27' ' ' TRP . 39.4 mm -63.43 93.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -63.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.69 148.86 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.715 ' NE1' HG21 ' A' ' 24' ' ' ILE . 82.4 m95 -95.48 89.36 5.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.481 ' CD ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -39.0 -44.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' TRP . 41.6 mmtt -96.82 179.32 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 61' ' ' MET . 7.7 mmtt -135.12 -175.96 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.84 125.78 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.644 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 84.06 12.12 77.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.78 135.03 34.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.4 tttm -68.7 137.79 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.435 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 50.4 mt -122.76 133.53 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.81 139.33 50.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.06 117.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.58 -44.37 1.52 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.419 1.075 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -44.27 134.63 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD23 ' CD ' ' A' ' 28' ' ' GLU . 35.6 tp -64.68 121.89 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.721 HD11 ' HA ' ' A' ' 55' ' ' SER . 62.8 mt -81.25 -46.94 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.61 156.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.45 141.96 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 51' ' ' VAL . 56.1 t -125.64 137.43 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.66 117.96 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.461 HG23 HG22 ' A' ' 51' ' ' VAL . 54.2 p -108.63 178.78 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -8.11 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 3.6 mmmt -98.47 -49.5 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 172.38 -174.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.1 m -76.48 119.99 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 44' ' ' VAL . 1.6 m -100.98 165.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -123.76 116.03 2.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HE2' HG11 ' A' ' 10' ' ' VAL . 6.1 t80 -85.09 113.69 21.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.69 152.85 18.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.721 ' HA ' HD11 ' A' ' 41' ' ' ILE . 32.9 t -71.96 150.43 44.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -98.49 -21.54 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -155.31 168.21 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 10.7 tt0 -83.27 108.33 16.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.9 p -146.28 -175.12 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' HB3' HD11 ' A' ' 89' ' ' ILE . 7.1 m-30 -118.95 147.42 44.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -62.82 99.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -67.91 -69.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.5 tptt -146.94 147.35 30.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 64' ' ' ILE . 62.9 mt -111.61 75.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' CG2' ' A' ' 78' ' ' ILE . 41.9 mt -43.81 -60.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.625 HG13 HG21 ' A' ' 70' ' ' THR . 4.1 t -91.17 118.48 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.84 -175.3 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.636 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -86.0 127.11 34.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 116.14 -25.15 9.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.625 HG21 HG13 ' A' ' 66' ' ' VAL . 37.7 m -53.17 103.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 0.795 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 11.7 mtt180 -93.45 147.15 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 t70 86.51 36.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.668 HG12 HD22 ' A' ' 12' ' ' LEU . 4.1 t -86.43 116.14 64.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.968 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 161.26 39.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.574 1.829 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.652 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.5 mm -75.6 136.04 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.67 -20.35 47.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 110.92 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.4 mm -40.88 127.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 12' ' ' LEU . 40.2 pt -102.4 -29.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.425 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 24.8 p -169.2 172.54 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.278 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.496 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -122.22 155.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.5 p -128.04 142.21 51.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 62' ' ' ALA . 7.8 m -124.54 -173.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.84 -15.44 7.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -140.23 155.46 70.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.75 15.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.91 -21.98 66.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 -23.31 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.644 HD13 ' HA2' ' A' ' 32' ' ' GLY . 35.8 mt -60.31 -40.09 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.15 -33.54 74.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.05 -23.11 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.7 m-85 -96.54 -22.78 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.64 ' HE3' HG22 ' A' ' 89' ' ' ILE . 1.7 ttmt -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.59 76.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.423 ' C ' HG23 ' A' ' 96' ' ' THR . 80.1 t80 -117.39 153.52 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 95' ' ' TYR . 35.9 p -151.66 131.67 13.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 124.05 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.29 123.77 12.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.2 t -169.26 148.9 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.8 t -52.62 -58.34 7.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.92 -62.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.73 153.31 36.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -57.54 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.25 -145.84 4.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 t 54.8 88.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.07 -58.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.996 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.11 83.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.055 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -175.93 118.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.08 122.09 0.78 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.54 113.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.044 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -124.69 103.47 8.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -147.25 -162.34 9.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -143.25 121.29 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -80.57 138.63 36.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 97.2 t -111.22 98.47 39.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.97 9.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 74' ' ' PRO . 53.7 tp -40.93 100.72 0.23 Allowed Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.36 14.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.654 ' HB3' HG21 ' A' ' 75' ' ' ILE . 85.2 p -65.24 108.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -92.35 24.32 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -155.14 170.0 9.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -60.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.9 p -96.13 36.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.48 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.4 ttt -75.12 117.44 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -108.37 -27.21 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.95 147.56 6.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.79 178.91 17.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 71' ' ' ARG . 3.5 m -128.37 128.04 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.642 HG21 ' NE1' ' A' ' 27' ' ' TRP . 41.6 mm -67.64 90.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.04 167.48 29.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.844 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 77.2 m95 -114.28 88.74 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 108.071 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.28 -32.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -118.23 154.43 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -112.09 -172.46 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 52.8 mt-10 -78.48 120.46 23.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.693 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 94.93 3.89 61.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.66 130.89 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.1 tttt -65.84 138.26 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.216 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.432 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 11.7 mt -123.62 132.04 72.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.44 133.29 54.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.88 122.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.17 -43.17 1.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -47.42 152.24 0.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 53' ' ' PHE . 41.0 tp -79.14 136.85 37.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.12 -44.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.844 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -167.59 161.85 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -109.4 148.76 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.6 130.68 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.97 115.85 27.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 48' ' ' LYS . 35.4 p -117.69 158.66 24.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.12 -25.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.693 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -77.83 -48.03 17.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 163.6 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -76.76 114.84 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.89 166.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.28 113.22 1.97 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.632 ' O ' HD12 ' A' ' 40' ' ' LEU . 11.5 t80 -81.63 112.15 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.86 166.15 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -82.37 156.03 24.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.15 -20.27 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -154.01 161.02 42.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.17 124.35 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.3 p -171.83 -174.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 108.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.481 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.9 m-85 -124.56 155.94 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.5 tpp -69.49 120.39 15.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -85.52 -52.95 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' ILE . 14.7 tptt -157.79 144.86 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 64' ' ' ILE . 48.2 mt -110.26 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.1 mt -43.41 -60.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.686 HG13 HG21 ' A' ' 70' ' ' THR . 2.9 t -92.94 118.31 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.1 -179.07 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.506 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -78.25 139.21 38.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.35 -19.87 50.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.416 1.072 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.686 HG21 HG13 ' A' ' 66' ' ' VAL . 47.9 m -61.15 102.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 82.6 mtt180 -93.94 153.53 18.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 m-20 85.54 31.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.685 HG12 HD22 ' A' ' 12' ' ' LEU . 3.8 t -85.99 114.6 57.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.958 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 163.77 34.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.595 1.84 . . . . 0.0 111.052 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.654 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.9 mm -77.82 131.42 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.63 -23.82 34.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.4 110.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.9 mm -40.3 129.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 36.1 pt -101.35 -32.45 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.0 p -167.53 175.69 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.2 mt -125.88 155.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.3 p -130.67 147.77 52.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.0 m -130.32 -172.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.46 13.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -147.57 157.37 44.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.96 -26.21 11.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.41 -28.69 45.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.413 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -89.55 -28.85 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.693 HD13 ' HA2' ' A' ' 32' ' ' GLY . 51.4 mt -53.66 -41.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.73 -34.77 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.38 -31.3 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.523 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 9.0 m-85 -88.56 -22.75 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -49.97 -24.47 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -126.22 70.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -120.42 144.32 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.7 p -141.51 146.66 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -81.22 175.42 10.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 174.35 107.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.1 m -79.92 101.86 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -102.39 155.29 18.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.49 152.79 33.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 51.93 93.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.8 m -153.12 -59.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.08 98.31 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -36.79 2.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.551 1.816 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.78 137.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 t 55.76 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.402 1.064 . . . . 0.0 111.018 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.8 tt0 -139.68 124.19 18.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 0.777 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -83.43 139.54 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -111.32 97.76 37.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.01 122.52 7.25 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 74' ' ' PRO . 43.0 tp -39.99 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.1 Cg_endo -75.11 131.57 14.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.587 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.6 p -63.96 107.25 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.979 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.66 22.86 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.18 171.99 6.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 p -93.3 35.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.475 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.483 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.3 ttt -73.5 111.97 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -104.91 -25.68 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.3 147.64 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -130.52 -175.03 13.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HG2' ' A' ' 71' ' ' ARG . 8.1 m -135.79 128.16 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.621 HG21 ' NE1' ' A' ' 27' ' ' TRP . 50.1 mm -66.38 92.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -54.16 -63.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.58 154.03 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.621 ' NE1' HG21 ' A' ' 24' ' ' ILE . 81.6 m95 -99.55 82.32 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.54 ' HG3' HD23 ' A' ' 40' ' ' LEU . 4.2 mm-40 -38.81 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 21.3 mmtt -114.26 161.06 18.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.22 179.82 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -69.82 130.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 88.16 -9.74 73.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.72 131.74 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 2.6 tttm -71.49 135.08 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -119.25 140.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.76 144.43 50.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.03 123.66 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.36 -41.91 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -47.37 132.82 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.54 HD23 ' HG3' ' A' ' 28' ' ' GLU . 17.0 tp -63.66 126.67 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 53.2 mt -93.37 -37.48 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.566 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -177.02 166.93 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.369 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.622 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 68.6 mt-10 -111.62 144.18 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.24 136.0 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -96.65 116.64 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.441 ' C ' ' N ' ' A' ' 48' ' ' LYS . 48.9 p -122.44 156.09 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.641 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -73.99 -53.32 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.32 -174.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 m -78.68 108.28 11.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.43 165.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.22 124.04 5.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.53 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.6 t80 -90.54 115.08 27.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.15 154.18 18.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 33.5 t -71.08 158.74 35.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -176.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 59' ' ' CYS . 18.9 tt0 -74.02 143.99 45.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.402 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 1.6 p 169.99 -174.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.684 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.0 m-85 -129.36 151.34 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.5 tpp -63.3 109.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.654 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -73.18 -67.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' ILE . 4.4 tptt -148.31 146.7 28.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.2 mt -110.95 75.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.4 mt -45.49 -59.86 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 70' ' ' THR . 3.3 t -93.23 121.41 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.24 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.609 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -86.73 130.43 34.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.19 -23.86 17.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.584 HG21 HG13 ' A' ' 66' ' ' VAL . 88.5 m -54.29 102.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.561 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 61.9 mtm180 -92.44 149.27 21.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 12.6 t0 86.52 35.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.656 HG12 HD22 ' A' ' 12' ' ' LEU . 5.2 t -87.01 115.56 63.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.985 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -74.96 164.99 32.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.587 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.1 mm -79.89 132.25 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.88 -19.37 54.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.6 108.54 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 78' ' ' ILE . 5.2 mm -39.9 123.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 12' ' ' LEU . 29.9 pt -96.78 -31.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 14.0 p -165.5 177.48 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.654 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -129.82 154.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 8' ' ' GLN . 23.4 p -130.66 152.67 49.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.58 -173.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.38 -9.86 28.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.66 154.98 32.26 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.529 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -16.24 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 -33.65 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.684 HD11 ' HB2' ' A' ' 60' ' ' TYR . 97.6 mt -44.41 -55.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -51.07 7.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.23 73.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.7 m-85 -84.01 -9.2 58.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 89' ' ' ILE . 13.6 tttt -59.53 -30.61 68.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -119.18 70.89 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -117.66 144.96 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.137 . . . . 0.0 110.428 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.1 tt0 -143.22 122.0 12.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -79.16 136.93 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.8 97.81 39.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 131.1 14.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 73' ' ' VAL . 43.4 tp -46.26 104.28 0.39 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.194 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -64.75 110.12 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.0 mt -96.84 13.48 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -155.36 169.99 9.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.0 p -92.19 32.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.549 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -68.24 131.22 44.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -118.91 -35.21 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.15 147.77 11.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.83 -173.56 13.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.563 HG21 ' HG2' ' A' ' 71' ' ' ARG . 17.8 m -136.76 137.96 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.582 HG21 ' NE1' ' A' ' 27' ' ' TRP . 31.9 mm -73.51 87.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -151.24 154.18 36.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 48.2 m95 -100.73 80.52 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -37.6 -36.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -110.63 171.13 7.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -134.66 177.46 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.45 132.11 47.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.526 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 77.05 34.62 41.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -113.44 158.93 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -95.33 134.67 37.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.961 HG23 ' CG ' ' A' ' 39' ' ' ASP . 11.5 mt -123.64 131.88 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 74.5 m-20 -113.63 133.75 55.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -38.62 120.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.03 -34.26 5.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.961 ' CG ' HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -50.61 161.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD11 ' CA ' ' A' ' 52' ' ' GLY . 53.8 tp -93.21 113.6 25.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.0 mt -73.77 -50.27 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.595 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.47 169.62 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.41 158.44 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.42 134.64 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.697 ' HG3' HG23 ' A' ' 50' ' ' THR . 10.4 mt-10 -96.4 121.94 38.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -125.03 168.45 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 -23.68 2.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.7 mmpp? -80.91 -59.54 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 173.95 -174.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.697 HG23 ' HG3' ' A' ' 45' ' ' GLU . 4.3 m -77.35 116.57 18.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.48 166.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -119.7 114.99 2.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 40' ' ' LEU . 17.8 t80 -84.04 115.18 22.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 6.1 mp0 -94.41 162.67 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -81.66 153.21 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.62 -25.57 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -144.59 173.15 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.71 122.94 33.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.3 p -170.15 -171.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.635 ' HB2' HD11 ' A' ' 89' ' ' ILE . 3.1 m-85 -123.39 162.22 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -70.93 118.69 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.77 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -83.8 -63.46 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -149.05 148.68 29.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 64' ' ' ILE . 49.0 mt -113.11 76.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' A' ' 78' ' ' ILE . 39.2 mt -44.98 -59.99 2.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.501 HG13 HG21 ' A' ' 70' ' ' THR . 3.6 t -94.16 121.39 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.41 -177.05 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.07 129.71 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 112.77 -26.13 11.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.501 HG21 HG13 ' A' ' 66' ' ' VAL . 82.0 m -54.05 102.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 23' ' ' THR . 99.6 mtt180 -90.09 150.01 22.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.4 t0 83.71 40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.474 HG12 HD22 ' A' ' 12' ' ' LEU . 13.5 t -85.89 114.46 57.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.04 43.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.549 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -75.02 136.63 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.195 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.7 -16.29 61.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.573 1.171 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.41 108.03 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.539 ' HB ' HD12 ' A' ' 65' ' ' LEU . 4.1 mm -40.3 123.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.3 pt -96.45 -29.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.5 p -166.87 176.1 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 108.267 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.619 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.4 mt -129.84 155.31 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 7.1 p -128.68 160.26 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 62' ' ' ALA . 26.9 m -133.54 -170.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.07 -18.35 9.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -143.78 157.91 57.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.524 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -13.04 21.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.35 -9.4 59.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.635 HD11 ' HB2' ' A' ' 60' ' ' TYR . 70.2 mt -69.8 -53.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.5 -33.64 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.05 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 95' ' ' TYR . 2.2 m-85 -92.82 -7.05 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.38 -21.11 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -126.19 60.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.454 ' CD2' ' CE1' ' A' ' 92' ' ' PHE . 18.3 t80 -101.97 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.516 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -140.12 123.11 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -80.59 138.65 36.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -113.08 95.5 34.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.3 10.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 74' ' ' PRO . 47.2 tp -43.03 102.34 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.13 26.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.574 1.828 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 p -62.78 107.97 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.37 6.67 47.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.211 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.3 OUTLIER -149.89 165.18 18.16 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -54.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.584 1.834 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -97.15 36.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.544 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -77.36 134.34 38.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.19 -37.39 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.0 149.42 14.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.68 -173.3 13.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' HG2' ' A' ' 71' ' ' ARG . 5.2 m -139.36 137.36 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.36 91.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -63.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -148.19 150.15 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.63 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 20.0 m95 -95.34 76.27 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -39.88 -29.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 27' ' ' TRP . 31.4 mmtt -125.27 128.0 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.69 -177.34 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 62' ' ' ALA . 9.1 mt-10 -69.75 136.06 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.89 6.34 89.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 126.66 37.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -68.16 137.08 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.378 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 25.9 mt -122.23 127.11 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -107.03 138.61 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.82 119.22 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.52 -44.64 1.43 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -44.72 140.36 2.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 53' ' ' PHE . 44.5 tp -67.24 130.16 42.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mt -93.77 -45.56 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.63 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.79 166.95 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -112.72 136.48 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.2 t -117.17 133.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.54 118.92 31.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -117.05 170.31 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.33 -17.2 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mmtt -86.95 -48.9 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.46 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -76.96 110.26 11.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.19 163.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.28 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.806 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.7 t80 -84.69 120.98 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 0.799 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.8 169.24 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 44.0 t -87.44 153.85 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -157.74 170.03 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 59' ' ' CYS . 12.2 tt0 -74.97 143.64 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.419 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 1.8 p 168.5 -173.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.946 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.9 m-85 -125.36 151.41 46.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 89' ' ' ILE . 31.5 tpp -61.38 111.04 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -75.23 -65.63 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -144.82 150.53 37.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.554 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 71.9 mt -117.29 79.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.494 HD12 ' HB ' ' A' ' 78' ' ' ILE . 51.7 mt -47.38 -57.09 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.786 HG13 HG21 ' A' ' 70' ' ' THR . 6.5 t -86.15 119.8 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.66 -162.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 3.4 mt-10 -93.55 138.61 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' THR . . . 93.11 -30.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.786 HG21 HG13 ' A' ' 66' ' ' VAL . 77.3 m -36.37 104.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HG2' HG21 ' A' ' 23' ' ' THR . 16.3 mtp180 -94.75 153.28 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 m-20 78.24 50.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.402 HG12 HD22 ' A' ' 12' ' ' LEU . 7.2 t -92.78 113.46 59.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.456 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.0 Cg_endo -75.06 156.25 42.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.433 1.754 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.8 OUTLIER -73.09 141.07 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.87 -10.15 66.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 107.17 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.576 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.6 mm -40.35 120.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.508 ' HA ' HG23 ' A' ' 66' ' ' VAL . 49.1 pt -92.79 -31.17 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.4 p -166.62 174.71 8.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.527 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -128.27 156.51 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.9 p -129.06 159.21 36.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.451 ' CG2' HG12 ' A' ' 89' ' ' ILE . 2.0 m -135.7 -176.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.13 -10.46 39.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' OD2' ' A' ' 88' ' ' ASP . 1.6 ptpm? -150.47 157.54 36.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.342 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -36.94 2.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.24 -22.84 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' OD2' ' CG ' ' A' ' 85' ' ' LYS . 0.9 OUTLIER -84.38 -31.29 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.946 HD11 ' HB2' ' A' ' 60' ' ' TYR . 53.2 mt -52.94 -52.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -46.81 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.03 82.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.4 m-85 -80.67 -8.43 59.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -13.11 57.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -132.88 52.96 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.61 158.27 16.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.6 tt0 -139.57 120.79 14.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -80.5 141.72 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 t -113.01 95.36 34.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.91 130.57 13.49 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.645 HD22 HG12 ' A' ' 73' ' ' VAL . 59.1 tp -45.28 103.72 0.36 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 139.96 24.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.66 107.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.28 9.16 35.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.16 165.79 16.71 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 0.0 110.005 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.93 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.9 p -94.47 32.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.528 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -73.22 134.98 44.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.4 OUTLIER -121.1 -37.02 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.11 148.73 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.51 -173.49 13.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.584 HG21 ' HG2' ' A' ' 71' ' ' ARG . 13.9 m -139.01 130.66 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 0.809 . . . . 0.0 110.477 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' A' ' 68' ' ' GLU . 3.4 mm -66.13 92.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -53.05 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.19 154.52 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 42.5 m95 -99.37 85.59 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.09 -26.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -119.98 162.14 19.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' MET . 2.1 mmmm -128.51 -177.51 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.99 123.78 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.09 -1.91 65.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.85 135.17 34.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -74.74 136.19 41.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 15.8 mt -115.1 118.24 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.61 134.78 47.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.88 122.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.97 -37.08 3.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.19 135.16 57.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 53' ' ' PHE . 68.4 tp -62.39 144.45 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.1 mt -108.5 -42.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -173.57 151.27 1.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 23.1 mt-10 -96.65 142.13 29.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.6 134.25 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.625 ' HG3' HG23 ' A' ' 50' ' ' THR . 3.4 mt-10 -95.55 121.67 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.228 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -127.37 167.03 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.1 -21.37 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 4.9 tttp -81.03 -52.14 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.238 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.88 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.625 HG23 ' HG3' ' A' ' 45' ' ' GLU . 16.5 m -79.16 107.86 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -91.18 165.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.28 119.82 3.99 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.755 ' O ' HD12 ' A' ' 40' ' ' LEU . 7.1 t80 -86.53 116.55 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.34 165.77 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.426 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 30.2 t -78.63 156.03 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -104.01 -12.08 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -174.43 171.52 3.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.38 140.4 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 p 177.18 -171.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 108.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.744 ' CB ' HD11 ' A' ' 89' ' ' ILE . 17.8 m-85 -131.15 149.21 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.38 109.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.637 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -76.73 -67.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -149.76 148.94 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 64' ' ' ILE . 34.8 mt -113.2 77.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.434 HD12 ' HB ' ' A' ' 78' ' ' ILE . 46.2 mt -45.86 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.696 HG13 HG21 ' A' ' 70' ' ' THR . 3.4 t -91.8 117.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.35 -176.62 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.504 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.84 136.08 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.07 -19.71 45.49 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.696 HG21 HG13 ' A' ' 66' ' ' VAL . 25.7 m -56.06 102.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 0.808 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.584 ' HG2' HG21 ' A' ' 23' ' ' THR . 8.4 mtt180 -88.5 149.3 23.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 82.91 45.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.645 HG12 HD22 ' A' ' 12' ' ' LEU . 19.6 t -89.96 113.15 56.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.46 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -72.79 138.73 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.23 -14.58 61.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.84 112.76 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.5 mm -45.2 123.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 pt -97.03 -29.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.507 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 32.1 p -167.27 174.31 8.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.298 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.637 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 mt -125.62 153.37 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 p -127.97 151.67 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.572 HG22 ' HB2' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -129.81 179.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.49 -13.54 38.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 157.27 35.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.73 8.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.38 -24.42 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.35 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 60' ' ' TYR . 71.8 mt -44.26 -51.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -48.98 -42.72 38.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.2 -35.13 78.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 7.5 m-85 -83.94 -8.57 59.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 7.1 tttm -52.89 -27.24 17.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -129.2 78.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -120.4 136.38 54.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.422 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.9 tt0 -143.12 121.67 12.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 0.814 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -78.78 140.9 38.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.67 97.25 36.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.06 124.75 8.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.922 HD23 ' O ' ' A' ' 74' ' ' PRO . 62.5 tp -40.36 100.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.81 15.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.594 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.3 p -65.54 107.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 ' HB ' ' A' ' 44' ' ' VAL . 17.6 mt -91.71 23.06 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -154.8 171.46 7.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -65.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -91.7 34.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.481 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.0 ttt -73.57 112.55 9.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.27 -25.29 12.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.0 147.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.09 -178.41 15.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.566 HG21 ' HG2' ' A' ' 71' ' ' ARG . 7.3 m -134.47 125.18 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.383 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.627 HG22 ' HA ' ' A' ' 68' ' ' GLU . 38.0 mm -63.68 98.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -58.38 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.6 152.15 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 84.3 m95 -96.19 91.97 6.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.666 ' HG3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -50.05 -22.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -119.61 168.1 11.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 61' ' ' MET . 1.2 mmtt -125.14 -175.11 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.34 128.54 33.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.598 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 83.67 20.15 60.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.46 135.97 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -67.59 138.13 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 97.6 mt -120.7 119.05 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -106.23 139.33 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.22 120.57 2.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.92 -36.05 4.58 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.128 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -53.09 147.86 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.666 HD23 ' HG3' ' A' ' 28' ' ' GLU . 6.4 tp -75.82 124.37 27.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -91.11 -45.01 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 156.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 29.2 mt-10 -102.3 140.67 36.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.518 ' HB ' HD12 ' A' ' 15' ' ' LEU . 60.5 t -117.57 135.58 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.655 ' HG3' HG23 ' A' ' 50' ' ' THR . 9.8 mt-10 -99.02 115.01 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.3 p -117.88 167.3 11.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.051 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.59 -22.44 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 7.3 tttt -80.24 -52.43 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 168.17 -174.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.655 HG23 ' HG3' ' A' ' 45' ' ' GLU . 23.5 m -80.14 111.51 16.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.137 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.1 t -92.79 165.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -122.13 115.44 2.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.2 t80 -81.29 108.54 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 0.758 . . . . 0.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -91.89 144.28 25.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -67.31 136.19 54.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -111.12 19.49 18.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -165.29 -175.85 3.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.26 109.03 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 p -156.5 -173.89 4.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -119.32 150.22 40.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -62.49 99.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -68.0 -69.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -147.24 151.44 36.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.4 mt -115.52 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.4 mt -46.25 -59.3 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.689 HG13 HG21 ' A' ' 70' ' ' THR . 5.3 t -90.53 118.08 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 -171.98 3.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.28 -20.06 28.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.689 HG21 HG13 ' A' ' 66' ' ' VAL . 18.2 m -54.82 103.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.737 . . . . 0.0 110.382 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' HG21 ' A' ' 23' ' ' THR . 77.2 mtm180 -93.16 147.55 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 7.8 t0 86.23 37.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.361 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.74 HG12 HD22 ' A' ' 12' ' ' LEU . 3.3 t -89.13 114.71 61.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.922 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.96 164.15 33.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.594 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.0 mm -79.08 130.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.9 -20.46 47.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 109.36 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 0.816 . . . . 0.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -39.73 129.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 39.8 pt -104.77 -27.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.464 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 31.2 p -169.37 173.1 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -125.69 156.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.8 p -129.04 151.22 49.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 ' HB3' ' A' ' 88' ' ' ASP . 5.0 m -134.0 -172.49 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.83 -12.49 10.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -145.69 154.96 52.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -15.46 20.74 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.533 1.807 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.67 -23.62 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.497 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -92.44 -23.31 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.598 HD13 ' HA2' ' A' ' 32' ' ' GLY . 33.1 mt -59.41 -41.14 83.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -34.15 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.2 -31.36 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' CE1' HG21 ' A' ' 81' ' ' ILE . 2.8 m-85 -86.5 -25.85 24.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -37.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -114.57 69.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.405 ' C ' HG23 ' A' ' 96' ' ' THR . 82.2 t80 -114.19 151.5 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.405 HG23 ' C ' ' A' ' 95' ' ' TYR . 30.6 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.1 tt0 -129.93 127.59 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -80.43 136.3 36.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.52 97.16 35.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.33 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.514 HD22 HG12 ' A' ' 73' ' ' VAL . 42.4 tp -46.89 104.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.69 28.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.43 108.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -94.63 13.24 24.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.03 169.24 10.58 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -62.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.565 1.824 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.0 p -94.02 33.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -68.56 134.58 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.9 OUTLIER -121.35 -37.36 2.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.5 145.83 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -171.76 13.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.577 HG21 ' HG2' ' A' ' 71' ' ' ARG . 18.1 m -137.47 138.17 39.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.865 HG21 ' NE1' ' A' ' 27' ' ' TRP . 4.5 mm -75.84 85.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.32 -65.41 0.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 156.6 41.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.865 ' NE1' HG21 ' A' ' 24' ' ' ILE . 73.7 m95 -105.06 80.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -38.63 -32.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 24.4 mmtt -122.87 136.22 54.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -105.0 -170.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.92 134.46 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.04 80.34 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.88 139.19 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttm -79.76 137.59 37.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.475 HG21 HG12 ' A' ' 41' ' ' ILE . 18.3 mt -118.15 98.11 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -77.8 133.45 38.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.64 124.9 1.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.41 -34.28 5.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.19 150.73 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 53' ' ' PHE . 57.5 tp -77.7 122.22 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG12 HG21 ' A' ' 35' ' ' ILE . 30.0 mt -84.12 -44.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.29 164.5 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -107.39 156.58 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.1 t -133.51 137.17 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.33 121.43 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.3 p -127.26 165.02 20.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -22.72 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -79.86 -52.19 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -79.5 111.48 15.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.96 163.5 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.4 108.16 1.24 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.699 ' O ' HD12 ' A' ' 40' ' ' LEU . 12.5 t80 -75.32 117.57 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.85 164.76 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -94.33 144.38 25.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.7 mt -117.98 17.16 14.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.2 172.17 17.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.3 120.07 41.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 p -170.95 -173.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -123.44 151.37 42.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -61.6 115.29 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.954 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.682 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -78.79 -65.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 31.1 tptt -148.2 148.82 30.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 64' ' ' ILE . 60.0 mt -112.34 75.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.491 HD12 ' HB ' ' A' ' 78' ' ' ILE . 51.0 mt -41.73 -61.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.481 HG13 HG21 ' A' ' 70' ' ' THR . 2.7 t -95.77 119.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.57 -174.46 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -86.85 128.54 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -30.63 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.481 HG21 HG13 ' A' ' 66' ' ' VAL . 26.6 m -53.12 101.94 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HG2' HG21 ' A' ' 23' ' ' THR . 8.1 mtm180 -88.68 149.4 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t70 85.93 40.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG12 HD22 ' A' ' 12' ' ' LEU . 20.7 t -84.95 114.15 54.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.95 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -73.09 139.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 -17.79 51.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 108.96 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.539 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.9 mm -39.54 132.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 pt -105.87 -29.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.1 p -167.16 174.96 7.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.682 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -129.91 154.6 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.3 p -126.77 155.32 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.2 -173.65 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.56 -13.69 29.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -150.36 158.34 36.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.01 -26.14 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.48 -19.89 64.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -33.71 20.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 93' ' ' LYS . 68.6 mt -46.11 -55.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -45.63 -44.75 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.77 79.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.4 m-85 -86.2 -6.98 58.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.9 ttpt -58.75 -32.55 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -115.86 68.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -116.82 145.22 43.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.6 tt0 -123.07 127.28 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.35 135.19 35.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.7 t -110.39 98.92 38.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 126.08 9.76 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.562 1.822 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.963 HD23 ' O ' ' A' ' 74' ' ' PRO . 49.9 tp -41.58 101.22 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.624 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.7 p -66.23 108.05 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -153.97 169.4 10.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 p -97.08 37.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.468 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.474 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.5 ttt -78.16 112.61 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -105.09 -24.86 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.35 145.92 5.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.55 -175.8 14.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.524 HG21 ' HG2' ' A' ' 71' ' ' ARG . 7.1 m -134.69 133.6 40.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 110.406 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.632 HG21 ' NE1' ' A' ' 27' ' ' TRP . 47.8 mm -71.79 90.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.99 -63.96 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.79 156.26 39.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.632 ' NE1' HG21 ' A' ' 24' ' ' ILE . 50.7 m95 -104.28 79.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 16.4 tp10 -38.11 -32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' TRP . 46.0 mmtt -111.52 164.54 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -130.11 178.53 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.69 122.16 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.477 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 83.95 37.61 11.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.78 123.19 41.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -61.35 132.79 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.03 104.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -82.5 129.74 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.81 123.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.402 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 104.86 -38.9 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.46 151.44 3.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 53' ' ' PHE . 58.7 tp -77.98 130.71 36.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -91.59 -47.94 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -170.98 161.99 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.85 157.54 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -137.61 136.32 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.2 mt-10 -98.67 122.63 42.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 p -127.34 165.62 19.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.52 -22.31 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -81.02 -52.03 7.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.26 -175.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.537 HG23 ' HG3' ' A' ' 45' ' ' GLU . 7.5 m -79.07 112.76 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.02 165.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.61 110.58 1.51 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.694 ' O ' HD12 ' A' ' 40' ' ' LEU . 16.8 t80 -78.3 112.97 15.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 24.0 mt-10 -92.79 169.33 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -95.95 137.16 35.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.937 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -109.24 12.86 24.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.33 169.73 20.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -102.49 122.15 43.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -170.87 -173.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.617 ' HB2' HD11 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -127.0 157.1 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.968 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.8 tpp -66.23 112.83 4.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.525 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -80.04 -59.44 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -149.55 147.69 28.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 64' ' ' ILE . 41.7 mt -113.42 79.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.8 mt -50.22 -57.6 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 70' ' ' THR . 2.9 t -96.73 123.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.16 -176.44 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.602 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -83.7 128.21 34.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 114.93 -29.84 7.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.57 HG21 HG13 ' A' ' 66' ' ' VAL . 59.2 m -49.21 102.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 69.1 mtt180 -92.23 149.44 21.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.0 t70 85.88 36.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.7 HG12 HD22 ' A' ' 12' ' ' LEU . 3.9 t -87.21 115.1 61.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.963 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.95 164.67 32.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.556 1.819 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.6 mm -80.64 129.93 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.51 -20.98 42.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.13 109.68 3.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -39.89 129.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 49.7 pt -100.11 -33.65 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 24.7 p -166.28 175.26 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.4 mt -128.45 154.55 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 p -134.6 155.58 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.08 -179.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.9 -11.97 41.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 155.71 67.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -17.94 19.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.15 -25.52 58.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.7 -16.74 58.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' ' 60' ' ' TYR . 40.7 mt -65.19 -53.27 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.97 -29.68 43.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.78 -21.23 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 1.5 m-85 -102.66 -11.2 18.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 3.4 tttm -52.87 -21.53 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -126.04 71.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -120.22 142.63 48.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.3 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 110.377 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.4 tt0 -124.02 125.99 45.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -80.1 139.19 36.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.45 96.49 36.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.14 11.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.771 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.61 103.35 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.14 32.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.8 p -64.34 110.14 2.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.6 mt -97.32 9.86 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.68 169.35 9.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.977 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -90.79 32.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.552 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -71.19 129.54 39.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -117.91 -32.59 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.63 150.61 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.74 -175.89 14.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.596 HG21 ' HG2' ' A' ' 71' ' ' ARG . 12.4 m -137.68 127.51 25.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.611 HG21 ' NE1' ' A' ' 27' ' ' TRP . 22.2 mm -63.29 87.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.25 -64.88 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.67 150.9 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.621 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 53.8 m95 -97.39 79.91 2.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.29 -35.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -114.52 152.86 31.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -118.39 179.24 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.29 130.83 44.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.37 16.97 67.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.2 128.9 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 0.717 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -68.07 136.27 53.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -121.01 117.86 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 1.6 m120 -100.57 134.4 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 1.6 tm-20 -38.92 119.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 -29.75 10.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.43 132.71 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 53' ' ' PHE . 42.3 tp -61.15 122.57 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.5 -47.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -171.87 162.61 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.75 138.08 44.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 94.1 t -120.6 136.5 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.653 ' HG3' HG23 ' A' ' 50' ' ' THR . 2.5 mt-10 -96.35 115.81 28.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 51' ' ' VAL . 38.0 p -109.33 167.88 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -54.63 -19.79 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 8.1 tttt -84.49 -55.5 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 175.05 -173.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.226 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.653 HG23 ' HG3' ' A' ' 45' ' ' GLU . 4.7 m -75.56 118.66 18.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -107.09 147.1 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.33 125.71 8.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.419 ' O ' HD12 ' A' ' 40' ' ' LEU . 5.5 t80 -94.11 109.89 21.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.12 158.6 16.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -84.0 147.71 27.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.6 mt -116.07 15.68 16.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -162.93 -179.33 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -113.18 124.42 52.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 p -177.03 -173.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.561 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.2 m-85 -120.63 157.13 30.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.75 114.44 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.656 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -78.26 -64.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -148.37 148.9 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 64' ' ' ILE . 39.2 mt -113.32 74.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.442 HD12 ' HB ' ' A' ' 78' ' ' ILE . 42.7 mt -41.9 -61.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG13 HG21 ' A' ' 70' ' ' THR . 3.2 t -93.43 118.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.37 -177.39 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.517 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.14 127.73 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.229 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 115.97 -28.17 7.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.565 HG21 HG13 ' A' ' 66' ' ' VAL . 52.1 m -52.29 101.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' HG21 ' A' ' 23' ' ' THR . 53.2 mtm180 -88.27 149.05 24.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER 84.31 43.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.6 t -88.35 114.44 59.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.16 42.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.552 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -76.32 133.48 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.58 -12.38 66.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ILE . . . -74.88 108.26 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.567 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.7 mm -39.86 124.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 pt -97.38 -33.72 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 25.0 p -163.08 175.04 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 108.368 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.656 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -129.23 156.11 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 p -129.22 152.1 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.4 -172.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.57 -23.7 10.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.93 64.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -23.31 13.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.13 -16.7 63.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -89.44 -33.73 16.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 60' ' ' TYR . 59.7 mt -46.23 -52.9 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -48.11 -33.56 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 88' ' ' ASP . . . -73.46 -34.43 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.377 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' ILE . 22.7 m-85 -86.49 -13.25 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -49.54 -28.52 5.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -124.49 70.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -114.04 142.45 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.468 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.3 tt0 -143.96 123.15 12.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -79.3 141.0 37.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.7 t -111.97 96.93 36.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.04 9.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.001 HD23 ' O ' ' A' ' 74' ' ' PRO . 32.7 tp -42.11 101.45 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.97 131.25 14.12 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.659 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.9 p -65.69 108.58 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.03 22.76 4.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.6 170.03 8.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.511 1.795 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.54 33.46 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.475 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.0 ttt -71.93 115.83 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -108.37 -26.92 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.6 1.187 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.15 147.24 6.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.87 -179.71 16.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 71' ' ' ARG . 4.1 m -131.0 125.52 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.666 HG21 ' NE1' ' A' ' 27' ' ' TRP . 48.5 mm -64.77 91.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -54.25 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 152.51 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 65.6 m95 -99.23 85.02 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -42.34 -29.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -117.27 151.06 37.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -176.83 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.95 124.14 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.594 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 98.01 -28.27 15.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 134.16 55.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 2.7 tttm -75.98 136.49 40.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.3 117.28 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.36 143.34 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -40.67 123.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.31 -29.71 10.88 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.5 119.74 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 53' ' ' PHE . 50.5 tp -49.8 134.36 20.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 55' ' ' SER . 76.0 mt -98.89 -42.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.736 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -174.6 159.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 33.6 mt-10 -105.63 146.97 28.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.222 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.1 t -128.42 136.61 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.57 118.09 30.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -119.74 163.93 16.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -23.16 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.673 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.28 -49.13 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 164.33 -174.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.1 m -77.19 111.81 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.49 165.95 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.01 113.34 2.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 40' ' ' LEU . 13.9 t80 -83.62 113.56 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -94.48 168.65 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.466 ' CB ' HD11 ' A' ' 41' ' ' ILE . 23.1 t -89.28 152.9 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -97.37 -24.5 15.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -144.13 -177.19 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.51 118.46 33.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.97 -176.65 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE1' ' HD2' ' A' ' 34' ' ' LYS . 22.0 m-85 -121.5 148.88 43.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.411 ' SD ' HD11 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -61.5 98.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.702 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -68.02 -69.64 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 35.5 tptt -145.58 145.63 31.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 64' ' ' ILE . 52.4 mt -110.48 76.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.6 mt -44.38 -60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 70' ' ' THR . 3.8 t -93.83 120.23 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -175.6 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.558 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.66 131.12 34.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.72 -25.31 13.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.145 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.628 HG21 HG13 ' A' ' 66' ' ' VAL . 22.4 m -55.2 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 13.8 mtm-85 -92.48 149.22 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.5 t70 87.23 35.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG12 HD22 ' A' ' 12' ' ' LEU . 3.1 t -87.75 115.66 63.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 1.001 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.08 164.76 32.58 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.8 mm -79.86 132.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.07 -14.88 63.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.12 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.6 108.33 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.529 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.1 mm -39.88 125.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.418 HG23 ' HB2' ' A' ' 12' ' ' LEU . 13.1 pt -102.43 -27.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 p -168.7 174.97 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 108.227 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -126.69 156.29 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLN . 70.4 p -134.71 137.16 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.702 HG13 ' HB2' ' A' ' 62' ' ' ALA . 30.5 m -111.01 172.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.55 -21.35 34.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.576 1.173 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.58 155.28 79.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.781 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -12.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.42 -20.95 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.23 3.31 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.594 HD13 ' HA2' ' A' ' 32' ' ' GLY . 72.9 mt -73.89 -37.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -73.08 -29.61 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.65 68.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.2 m-85 -101.44 -12.84 18.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -43.79 -28.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 92' ' ' PHE . 3.3 p30 -126.66 74.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -115.91 144.25 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.567 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.8 tt0 -137.61 126.73 24.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 0.704 . . . . 0.0 110.237 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -78.02 137.35 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.4 t -113.36 95.17 34.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.61 13.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.588 HD22 HG12 ' A' ' 73' ' ' VAL . 40.9 tp -47.12 104.84 0.43 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.91 30.74 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -64.39 109.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 mt -95.9 13.87 25.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -157.3 167.64 14.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.058 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.98 -59.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -94.17 32.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.545 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -72.02 130.98 42.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -119.29 -34.53 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.2 148.23 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.56 -171.79 13.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.561 1.163 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.56 HG21 ' HG2' ' A' ' 71' ' ' ARG . 14.6 m -139.94 137.33 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' A' ' 68' ' ' GLU . 39.1 mm -73.27 95.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -56.42 -62.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -157.31 144.85 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 60.4 m95 -88.32 83.61 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.044 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -39.61 -33.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -111.33 174.28 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -132.56 177.21 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.68 129.39 38.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.451 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 81.72 38.19 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.16 169.16 9.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' CE ' ' OE2' ' A' ' 58' ' ' GLU . 1.6 tttm -103.17 136.42 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.408 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 7.2 mt -124.27 133.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 4.0 m120 -119.25 136.87 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -38.06 118.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.89 6.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.11 137.05 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 53' ' ' PHE . 39.7 tp -67.12 117.78 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.5 mt -83.71 -37.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -179.19 164.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 14.7 mt-10 -108.3 144.89 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.15 133.46 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.523 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.3 mt-10 -92.75 119.34 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.411 ' H ' ' HG1' ' A' ' 46' ' ' THR . 13.3 p -121.53 165.87 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -22.04 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.02 -51.46 8.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.93 -174.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.523 HG23 ' HG3' ' A' ' 45' ' ' GLU . 10.1 m -76.9 111.77 12.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.19 164.36 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.26 107.47 1.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.493 ' O ' HD12 ' A' ' 40' ' ' LEU . 27.3 t80 -76.38 114.3 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.72 164.88 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -86.21 156.72 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.25 -19.68 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.446 ' OE2' ' CE ' ' A' ' 34' ' ' LYS . 14.8 tt0 -102.12 107.22 18.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p -151.68 -173.28 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.348 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -120.07 152.84 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.18 126.16 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.501 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -94.57 -62.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -147.16 147.08 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 64' ' ' ILE . 55.2 mt -112.87 75.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD12 ' HB ' ' A' ' 78' ' ' ILE . 62.6 mt -45.35 -58.67 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.617 HG13 HG21 ' A' ' 70' ' ' THR . 2.2 t -97.13 122.09 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.61 -172.22 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.504 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -87.71 132.79 34.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 107.5 -23.82 25.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.617 HG21 HG13 ' A' ' 66' ' ' VAL . 27.1 m -54.82 102.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.56 ' HG2' HG21 ' A' ' 23' ' ' THR . 28.1 mtm105 -89.3 149.55 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 9.0 t0 84.17 44.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.588 HG12 HD22 ' A' ' 12' ' ' LEU . 34.6 t -90.21 114.27 60.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 156.34 43.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.545 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -74.34 140.06 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.79 -13.56 62.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.75 108.74 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.572 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.5 mm -40.32 126.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 pt -97.4 -29.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -169.98 174.83 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -128.62 156.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 p -127.6 153.48 46.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.9 m -127.73 -172.19 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.07 -27.38 3.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.88 157.26 72.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.394 0.702 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.539 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.16 -23.84 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -81.82 -4.58 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 98.6 mt -69.42 -58.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -28.21 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.69 60.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.6 m-85 -104.18 -18.83 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -51.3 -22.44 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -127.76 74.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.239 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.31 138.69 53.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.7 tt0 -143.62 121.81 12.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 110.301 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -80.87 136.73 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.28 98.09 38.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.26 7.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.888 HD22 HG12 ' A' ' 73' ' ' VAL . 53.4 tp -41.19 100.89 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 132.87 16.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.714 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.7 p -67.54 109.13 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.2 25.34 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -154.5 172.0 6.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.993 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -62.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 p -98.11 40.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.473 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 5.2 ttt -80.54 118.61 22.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -109.76 -22.89 11.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.0 146.6 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 173.56 19.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.433 HG23 ' HG2' ' A' ' 71' ' ' ARG . 85.1 m -122.59 127.48 49.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.457 HG13 ' CG1' ' A' ' 66' ' ' VAL . 13.5 mm -71.65 88.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -47.83 -64.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 4.4 mpp_? -146.68 170.14 17.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 37.8 m95 -114.3 80.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.79 -35.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -113.97 167.59 10.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -133.88 179.09 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.48 121.0 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.28 49.73 4.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.98 124.43 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.799 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 2.3 tttm -62.51 137.64 58.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.423 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 4.6 mt -124.05 142.4 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.362 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -122.57 134.6 54.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.2 125.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.4 -18.98 56.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.75 126.44 29.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.02 115.9 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mt -80.24 -46.99 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.587 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -165.97 164.35 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 14.8 mt-10 -108.44 137.63 46.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.0 t -119.14 130.54 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -91.28 117.18 29.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 46' ' ' THR . 19.1 p -118.47 166.81 12.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.26 -21.15 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.67 -51.54 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.94 -174.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.4 m -77.5 111.71 13.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.39 163.89 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.06 105.19 0.96 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -76.04 111.18 11.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 0.707 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.84 151.59 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -66.67 150.07 49.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -101.3 -18.04 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -144.3 178.66 7.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -101.13 98.62 9.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.218 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 p -146.4 -174.37 4.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.521 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.1 m-85 -120.87 157.1 30.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.2 tpp -65.78 112.88 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -82.7 -61.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.2 tptm -144.78 150.99 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 64' ' ' ILE . 20.7 mt -120.25 91.52 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD12 ' HB ' ' A' ' 78' ' ' ILE . 25.0 mt -61.09 -58.42 8.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 79' ' ' ILE . 20.5 t -80.49 122.63 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.49 -160.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -94.6 136.01 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.83 2.06 69.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.424 ' HB ' HG12 ' A' ' 66' ' ' VAL . 51.6 m -65.11 107.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -98.55 167.02 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.9 t70 81.81 28.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.888 HG12 HD22 ' A' ' 12' ' ' LEU . 8.7 t -87.88 113.44 54.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.862 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.0 161.35 38.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.7 mm -75.79 132.23 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.37 -21.23 47.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.11 110.21 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.519 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -40.54 129.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.573 ' HA ' HG23 ' A' ' 66' ' ' VAL . 27.3 pt -99.31 -42.1 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.3 p -158.85 169.12 25.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.4 mt -122.35 154.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -129.67 146.89 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 88' ' ' ASP . 3.2 m -124.37 -174.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.21 -8.26 27.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -149.73 157.57 38.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -26.18 11.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.93 -25.17 63.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.523 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -91.94 -23.59 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.521 HD11 ' HB2' ' A' ' 60' ' ' TYR . 44.5 mt -60.35 -37.5 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.85 -34.98 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.26 -31.32 62.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -88.8 -17.97 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -21.35 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -125.35 70.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -120.32 136.55 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.493 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.9 tt0 -141.27 121.84 14.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -79.36 137.87 37.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 57.6 t -110.21 98.9 37.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.031 HD23 ' O ' ' A' ' 74' ' ' PRO . 14.3 tp -43.65 102.44 0.28 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 131.24 14.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 111.032 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.651 ' HB3' HG21 ' A' ' 75' ' ' ILE . 85.7 p -65.9 108.69 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -92.18 24.71 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.95 166.66 15.89 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 p -102.77 38.94 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.587 1.179 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.467 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 4.8 ttt -83.25 112.93 20.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -104.56 -25.02 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.05 145.21 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.22 -176.75 14.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.432 HG21 ' HG2' ' A' ' 71' ' ' ARG . 12.1 m -133.71 130.11 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.665 HG21 ' NE1' ' A' ' 27' ' ' TRP . 41.8 mm -67.75 89.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.08 -63.62 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.52 157.5 39.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.665 ' NE1' HG21 ' A' ' 24' ' ' ILE . 63.9 m95 -104.7 78.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.076 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' TRP . 35.9 mmtt -111.61 164.76 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.243 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -129.55 179.54 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.09 126.44 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.522 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 88.1 5.27 76.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.23 132.17 34.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -69.77 135.84 50.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.04 104.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 30.1 m-80 -90.31 132.8 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -38.39 120.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 -42.8 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.3 153.69 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 53' ' ' PHE . 60.2 tp -80.48 128.62 33.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.3 mt -87.09 -44.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.553 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -174.81 167.82 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.42 160.3 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.6 t -140.3 135.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.349 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.75 125.42 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.9 p -125.96 173.9 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.51 -18.11 26.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 9.1 mptt -87.04 -57.04 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 174.22 -175.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -79.32 112.27 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.46 164.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.58 109.9 1.84 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.687 ' O ' HD12 ' A' ' 40' ' ' LEU . 9.1 t80 -79.95 112.06 16.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 0.71 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 167.53 12.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -90.7 135.7 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.5 mt -109.88 19.68 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -168.64 172.33 8.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.26 127.62 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p 179.83 -173.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.751 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.5 m-85 -125.47 152.85 44.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.2 tpp -61.47 106.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.598 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -73.21 -63.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -150.16 148.44 28.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 64' ' ' ILE . 67.5 mt -112.61 75.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.0 mt -44.34 -60.21 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 70' ' ' THR . 3.2 t -93.81 116.11 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.56 -176.32 5.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -82.69 131.55 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.25 -28.01 10.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.615 HG21 HG13 ' A' ' 66' ' ' VAL . 52.2 m -53.42 101.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 0.719 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 22.5 mtp180 -90.97 151.22 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 84.82 38.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.546 HG12 HD22 ' A' ' 12' ' ' LEU . 3.7 t -90.37 114.08 59.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 1.031 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.67 32.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.651 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.5 mm -80.39 130.39 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.45 -18.66 53.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.05 109.09 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.525 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.2 mm -40.04 128.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.487 ' HA ' HG23 ' A' ' 66' ' ' VAL . 38.1 pt -102.74 -32.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.9 p -162.0 173.32 14.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -126.11 156.32 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 p -129.79 144.49 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -120.53 -172.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.07 -12.37 27.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.5 157.48 33.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.653 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -29.17 8.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.08 -21.82 47.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.61 -35.42 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.751 HD11 ' HB2' ' A' ' 60' ' ' TYR . 95.3 mt -41.06 -53.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -45.93 -50.29 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 22.8 m-85 -81.61 -9.51 59.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -32.17 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -118.58 71.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -116.08 148.59 40.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.0 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 tt0 -144.04 124.18 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -80.28 135.93 36.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.93 98.09 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.88 124.18 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.961 HD23 ' O ' ' A' ' 74' ' ' PRO . 51.2 tp -40.07 100.16 0.21 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -75.04 131.7 14.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.624 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.8 p -65.49 107.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -91.39 22.38 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -152.27 171.34 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -63.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 p -93.69 34.44 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.481 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.5 ttt -72.7 112.25 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.76 -24.41 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.51 151.11 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.74 -175.21 13.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.495 HG21 ' HG2' ' A' ' 71' ' ' ARG . 6.1 m -136.0 130.51 33.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 110.447 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.652 HG21 ' NE1' ' A' ' 27' ' ' TRP . 37.8 mm -68.87 89.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -51.59 -64.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.65 157.51 43.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.694 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 50.3 m95 -105.56 80.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' TRP . 18.8 tp10 -37.92 -36.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 34' ' ' LYS . 27.8 mmtt -112.03 162.84 14.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -128.38 175.05 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.94 130.8 44.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.48 27.22 57.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.92 143.23 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 1.5 tttm -78.02 136.3 37.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 21.1 mt -124.17 140.64 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -126.98 137.58 53.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.05 121.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -43.49 1.66 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -50.71 123.61 9.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 53' ' ' PHE . 60.8 tp -53.76 137.85 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 35.8 mt -102.35 -42.42 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.694 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -171.65 160.97 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 27.0 mt-10 -105.81 155.8 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.72 128.89 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.01 115.72 26.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 48' ' ' LYS . 26.3 p -118.62 160.48 21.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.56 -25.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.634 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mttt -78.01 -52.39 8.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.366 1.041 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 168.0 -174.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.8 m -76.77 112.93 13.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.56 164.95 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.88 105.97 0.8 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.585 1.178 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.847 ' O ' HD12 ' A' ' 40' ' ' LEU . 23.2 t80 -74.31 119.48 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 0.731 . . . . 0.0 111.051 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.88 162.18 14.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.439 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 12.6 t -76.26 145.06 39.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.21 -30.33 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -174.06 178.03 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -57.17 142.47 42.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.4 p 170.39 -174.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.903 ' HB2' HD11 ' A' ' 89' ' ' ILE . 3.9 m-85 -139.61 152.52 46.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.9 tpp -65.08 121.15 14.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.659 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -89.91 -62.53 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -147.61 148.07 30.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 64' ' ' ILE . 52.4 mt -113.91 76.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.3 mt -47.46 -58.22 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.556 HG13 HG21 ' A' ' 70' ' ' THR . 2.6 t -96.63 123.58 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.09 179.73 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.61 129.71 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 110.356 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 113.17 -29.59 7.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.556 HG21 HG13 ' A' ' 66' ' ' VAL . 71.6 m -51.32 102.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 44.4 mtp180 -91.83 151.31 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER 85.44 34.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.799 HG12 HD22 ' A' ' 12' ' ' LEU . 5.9 t -84.17 114.9 57.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.961 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.06 36.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.7 mm -79.63 130.84 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.28 -17.03 57.5 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.68 109.15 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.533 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.0 mm -40.3 126.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 47.0 pt -97.62 -33.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.0 p -166.18 174.71 8.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -127.21 156.74 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 58.9 p -132.87 160.91 35.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.659 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.4 m -131.11 -171.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.65 -14.58 17.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -142.71 158.53 59.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.576 0.81 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -76.93 -45.57 27.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.99 -21.1 65.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.903 HD11 ' HB2' ' A' ' 60' ' ' TYR . 16.8 mt -58.6 -49.98 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.63 -33.95 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.61 -17.35 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.0 m-85 -104.9 -14.21 15.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -54.37 -22.2 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -127.39 73.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -121.15 146.37 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -143.5 122.2 12.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -80.47 137.21 36.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.414 HG11 ' HE2' ' A' ' 53' ' ' PHE . 42.7 t -110.6 98.91 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.94 123.82 8.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.978 HD23 ' O ' ' A' ' 74' ' ' PRO . 24.4 tp -40.22 100.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.51 12.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.579 1.831 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.622 ' HB3' HG21 ' A' ' 75' ' ' ILE . 80.5 p -63.27 108.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -92.06 23.68 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.03 169.48 10.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -61.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.6 p -91.79 31.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.48 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 1.9 ttt -71.21 111.79 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.3 -25.68 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.15 151.11 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.13 -175.19 13.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.563 HG21 ' HG2' ' A' ' 71' ' ' ARG . 16.4 m -135.71 131.79 36.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 0.767 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.623 HG22 ' HA ' ' A' ' 68' ' ' GLU . 50.8 mm -69.53 90.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -51.83 -63.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -156.9 159.09 37.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 74.8 m95 -105.08 84.7 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.883 ' HG3' HD23 ' A' ' 40' ' ' LEU . 1.3 mm-40 -39.35 -32.99 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -114.45 167.29 10.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.54 -178.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -72.17 126.61 30.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.756 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 93.56 -17.38 58.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.87 146.77 54.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttt -81.59 138.16 35.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.426 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 40.5 mt -123.3 120.92 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -108.46 141.47 40.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.27 124.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.94 -41.49 2.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.38 127.41 15.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 0.794 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.883 HD23 ' HG3' ' A' ' 28' ' ' GLU . 14.6 tp -58.04 134.16 56.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.6 mt -100.46 -35.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.654 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -177.56 169.31 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 54.5 mt-10 -116.62 143.06 46.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.67 134.55 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -95.56 113.66 25.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.5 p -116.43 162.41 17.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -26.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.661 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 16.6 tttt -76.53 -51.02 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 165.71 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.5 m -76.83 113.63 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.26 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.541 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -122.85 114.35 2.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.598 ' O ' HD12 ' A' ' 40' ' ' LEU . 4.1 t80 -80.92 117.37 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.05 153.32 19.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.258 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.401 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 27.4 t -66.22 158.04 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.085 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -97.9 -20.6 17.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -179.97 175.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.7 135.72 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.6 p 179.9 -170.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.81 ' CB ' HD11 ' A' ' 89' ' ' ILE . 4.5 m-85 -134.58 147.79 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.53 102.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.606 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -68.37 -68.84 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -147.97 150.6 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 64' ' ' ILE . 67.3 mt -115.01 75.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.193 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.6 mt -44.96 -59.83 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.701 HG13 HG21 ' A' ' 70' ' ' THR . 3.3 t -91.99 119.81 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.23 -177.29 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 24' ' ' ILE . 4.0 pm0 -83.63 133.77 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.88 -22.8 27.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.701 HG21 HG13 ' A' ' 66' ' ' VAL . 17.8 m -53.55 102.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 23' ' ' THR . 94.7 mtt180 -91.98 149.56 21.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 t0 82.26 40.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 12' ' ' LEU . 4.6 t -89.44 116.82 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.978 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.7 Cg_endo -74.95 161.63 38.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.1 mm -77.62 134.94 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.31 -20.69 49.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.04 109.22 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.488 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.7 mm -40.45 126.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 12' ' ' LEU . 27.9 pt -99.71 -29.02 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 30.9 p -168.97 173.79 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.246 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.606 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -125.29 156.47 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 p -128.35 153.05 47.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -131.78 176.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.94 -1.56 48.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 14.2 pttm -160.91 157.63 23.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.591 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -31.29 6.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.11 -25.39 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.29 -37.78 16.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.81 HD11 ' CB ' ' A' ' 60' ' ' TYR . 95.8 mt -42.63 -51.97 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.22 72.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.6 m-85 -86.5 -8.47 57.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -58.69 -36.32 74.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -113.01 70.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.4 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -115.74 143.25 45.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.4 tt0 -142.69 122.19 13.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -79.88 138.57 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.8 t -112.4 96.35 35.44 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 74' ' ' PRO . 57.7 tp -42.86 102.06 0.26 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CG ' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.06 132.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.655 ' HB3' HG21 ' A' ' 75' ' ' ILE . 84.1 p -66.68 108.79 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.87 23.67 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -158.29 166.47 16.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -55.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.3 p -95.8 32.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.462 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.9 ttt -78.14 110.46 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -102.45 -25.3 13.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.61 149.39 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -179.56 16.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.501 HG21 ' HG2' ' A' ' 71' ' ' ARG . 3.3 m -134.83 123.66 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.54 103.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.53 -60.69 2.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -147.32 155.21 41.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 10.7 m95 -97.25 78.22 2.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -33.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -120.79 159.99 24.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -127.97 174.64 9.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.49 125.21 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.0 42.48 8.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.1 tttm -69.27 137.34 53.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.9 mt -124.39 147.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.25 134.16 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.89 121.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.74 -40.91 2.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.89 138.08 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 53' ' ' PHE . 61.9 tp -62.99 136.94 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 55' ' ' SER . 15.3 mt -103.93 -39.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.579 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -172.33 153.67 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HD21 ' A' ' 40' ' ' LEU . 6.2 mt-10 -105.07 141.56 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.9 t -124.07 145.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.78 117.86 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.41 ' H ' ' HG1' ' A' ' 46' ' ' THR . 13.6 p -114.42 169.02 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.322 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.63 -18.52 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.645 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.98 -49.8 7.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.26 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -77.12 113.9 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.512 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.92 165.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.21 110.49 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.74 ' O ' HD12 ' A' ' 40' ' ' LEU . 25.5 t80 -80.47 115.72 20.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -92.03 161.4 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' ' 41' ' ' ILE . 38.6 t -71.91 150.15 44.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.97 -14.04 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.397 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -176.65 168.16 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.03 129.85 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.406 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -176.1 176.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 108.355 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -121.82 147.54 45.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -61.39 117.62 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.736 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -86.11 -54.25 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 9.3 tptt -154.33 149.48 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.527 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 72.8 mt -116.45 84.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 78' ' ' ILE . 41.0 mt -51.58 -57.47 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.078 HG13 HG21 ' A' ' 70' ' ' THR . 12.3 t -83.83 132.55 31.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.41 -157.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 3.0 mt-10 -100.34 134.25 43.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 -0.28 84.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 1.078 HG21 HG13 ' A' ' 66' ' ' VAL . 39.5 m -56.28 102.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 8.6 mtm180 -93.3 148.14 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t0 83.96 40.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.775 HG12 HD22 ' A' ' 12' ' ' LEU . 3.3 t -91.48 114.11 60.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.851 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.97 34.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.655 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.9 mm -79.75 131.72 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.04 62.85 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.38 109.51 4.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.566 ' HB ' HD12 ' A' ' 65' ' ' LEU . 3.8 mm -41.4 128.19 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.55 ' HA ' HG23 ' A' ' 66' ' ' VAL . 39.8 pt -101.03 -30.62 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.8 p -170.2 172.67 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 108.31 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -124.1 155.32 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLN . 77.1 p -131.6 150.95 51.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.736 HG13 ' HB2' ' A' ' 62' ' ' ALA . 15.7 m -130.26 -171.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.87 -25.14 5.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 153.94 78.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.6 20.68 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.92 -36.05 64.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -70.83 -18.33 62.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' LYS . 43.4 mt -64.65 -53.63 39.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.59 -31.11 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.94 -33.02 63.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.5 m-85 -87.52 -19.71 27.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -46.25 -30.47 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -119.9 71.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -118.34 156.82 28.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -127.57 124.12 37.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HG2' HG21 ' A' ' 78' ' ' ILE . 19.4 mttt -75.44 140.37 42.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 43.3 t -111.19 98.02 37.67 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.4 8.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 74' ' ' PRO . 42.5 tp -42.64 101.76 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.572 1.827 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.647 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.3 p -64.72 107.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 mt -91.83 22.42 4.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.34 171.0 7.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.982 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -63.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 p -93.06 35.0 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.477 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.4 ttt -74.86 112.87 11.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.39 -22.02 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.43 152.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.77 -177.11 14.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.498 HG21 ' HG2' ' A' ' 71' ' ' ARG . 8.1 m -132.72 131.84 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.572 HG22 ' HA ' ' A' ' 68' ' ' GLU . 31.1 mm -68.94 86.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -48.65 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.382 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.66 157.38 35.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.63 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 71.6 m95 -102.62 81.6 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 3.2 tp10 -38.19 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.155 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' TRP . 18.8 mmtt -114.12 173.77 6.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -135.17 178.57 6.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.24 130.48 43.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.7 24.05 63.29 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.83 129.63 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.418 0.716 . . . . 0.0 109.395 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -64.65 133.8 52.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.444 HG21 HG12 ' A' ' 41' ' ' ILE . 7.9 mt -123.94 104.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -87.8 145.85 25.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.087 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 121.78 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.3 -31.27 8.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -56.59 126.29 26.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.362 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 53' ' ' PHE . 26.9 tp -56.17 126.39 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.401 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.444 HG12 HG21 ' A' ' 35' ' ' ILE . 59.9 mt -90.97 -44.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 109.214 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.63 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -173.67 164.22 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 11.5 mt-10 -110.43 140.95 44.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -120.44 138.12 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 50' ' ' THR . 2.4 mt-10 -98.2 112.09 24.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.9 p -114.07 165.33 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -50.07 -24.3 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 7.7 tttp -79.18 -54.28 6.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 169.84 -175.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 45' ' ' GLU . 12.6 m -77.27 108.96 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.02 160.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.87 113.15 2.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 40' ' ' LEU . 8.4 t80 -81.17 113.33 19.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.27 154.16 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.432 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 17.2 t -78.86 135.35 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -109.51 21.38 17.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.7 169.68 14.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.28 109.27 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -163.0 -173.19 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.326 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.718 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.4 m-85 -124.24 157.03 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.402 ' O ' HD13 ' A' ' 89' ' ' ILE . 54.2 tpp -65.29 110.57 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.989 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -75.8 -58.99 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -153.3 148.73 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.659 HG22 ' O ' ' A' ' 64' ' ' ILE . 42.1 mt -112.08 78.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.9 mt -46.31 -59.81 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG13 HG21 ' A' ' 70' ' ' THR . 4.4 t -95.29 121.52 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.82 -173.23 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.572 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -88.5 132.91 34.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.33 -20.63 30.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.536 HG21 HG13 ' A' ' 66' ' ' VAL . 82.3 m -59.42 104.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 2.7 mtt-85 -93.19 155.03 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER 84.38 30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.679 HG12 HD22 ' A' ' 12' ' ' LEU . 5.5 t -82.54 114.38 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.835 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -74.96 163.34 35.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.647 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.6 mm -79.92 130.98 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.97 -16.39 58.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.29 115.15 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.349 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.588 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.4 mm -47.2 124.61 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.8 pt -97.86 -37.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.24 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.9 p -158.58 171.9 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.305 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.495 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -123.68 156.83 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 62.3 p -131.51 150.36 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.431 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.989 HG13 ' HB2' ' A' ' 62' ' ' ALA . 22.3 m -126.96 -168.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.67 -12.64 14.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.411 ' O ' HG21 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -145.76 153.1 50.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.25 21.54 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -75.49 -38.73 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -72.13 -16.52 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.718 HD11 ' HB2' ' A' ' 60' ' ' TYR . 18.4 mt -65.09 -51.17 69.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -46.18 -41.95 13.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.54 80.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.9 m-85 -81.23 -20.32 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ILE . 1.6 tttm -43.92 -36.97 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.208 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -116.58 68.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -112.2 139.6 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.2 tt0 -133.91 124.3 26.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 0.793 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -81.71 140.8 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -112.09 96.81 36.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.417 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.1 Cg_endo -74.95 122.44 7.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.002 HD23 ' O ' ' A' ' 74' ' ' PRO . 28.0 tp -40.62 100.5 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 131.37 14.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.602 ' HB3' HG21 ' A' ' 75' ' ' ILE . 84.7 p -64.27 108.26 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.049 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.46 23.76 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -154.2 170.9 7.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -96.65 37.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.2 ttt -77.36 109.92 11.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -25.31 13.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.27 149.23 7.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -133.81 -171.62 12.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.567 HG21 ' HG2' ' A' ' 71' ' ' ARG . 15.3 m -138.76 131.86 29.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.452 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 68' ' ' GLU . 48.5 mm -68.76 92.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -53.88 -63.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -150.57 162.29 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.791 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 42.7 m95 -110.17 81.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.047 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -42.82 -28.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -117.57 154.33 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.47 175.62 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.59 129.27 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.542 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 81.62 29.86 38.12 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.38 1.05 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.34 140.75 46.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.45 134.11 37.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.376 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.559 HD13 HG12 ' A' ' 41' ' ' ILE . 61.2 mt -122.27 138.21 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.05 142.61 47.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.6 119.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.4 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 101.28 -43.01 1.8 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.56 121.36 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 53' ' ' PHE . 47.3 tp -50.55 134.73 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.559 HG12 HD13 ' A' ' 35' ' ' ILE . 53.2 mt -103.74 -38.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.611 1.194 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.791 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 163.03 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 57.7 mt-10 -107.9 164.89 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -143.51 135.62 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.91 118.81 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HG1' ' A' ' 46' ' ' THR . 14.2 p -120.13 169.36 10.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.45 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -19.45 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.652 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -86.07 -50.35 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -77.1 114.4 15.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.69 166.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.62 112.12 1.9 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.5 t80 -82.4 116.57 21.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 0.804 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 29.1 mt-10 -92.66 167.21 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.437 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 23.2 t -81.95 154.03 25.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.1 -24.35 16.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.42 -173.23 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -89.14 133.15 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.3 p 179.35 -171.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.941 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.4 m-85 -127.62 159.93 33.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 tpp -68.65 111.07 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -75.22 -58.4 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' ILE . 52.0 tptt -155.82 144.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.659 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.3 mt -109.91 76.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.3 mt -46.43 -59.2 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.664 HG13 HG21 ' A' ' 70' ' ' THR . 3.1 t -94.44 120.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.5 -174.89 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.583 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.28 132.23 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 108.21 -22.67 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.664 HG21 HG13 ' A' ' 66' ' ' VAL . 54.5 m -54.92 102.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 0.797 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HG2' HG21 ' A' ' 23' ' ' THR . 76.1 mtm180 -88.65 155.02 19.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER 77.47 44.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.888 HG12 HD22 ' A' ' 12' ' ' LEU . 11.5 t -91.89 114.35 61.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 1.002 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.4 mm -79.96 130.42 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.06 -16.01 58.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.74 107.84 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.508 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.5 mm -40.81 122.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 23.5 pt -94.19 -35.47 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 p -161.07 176.32 11.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.265 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.655 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.4 mt -130.0 155.06 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p -127.74 158.54 37.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.32 -173.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.19 -17.53 13.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.11 158.08 45.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -21.77 15.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.64 -25.23 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.28 -33.92 19.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.941 HD11 ' HB2' ' A' ' 60' ' ' TYR . 61.3 mt -44.13 -48.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.59 -46.11 66.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.15 75.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 16.6 m-85 -86.22 -6.96 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.8 tttt -64.97 -12.69 52.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -136.08 71.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -120.65 120.2 35.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.431 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.534 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.3 tt0 -120.21 128.35 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -82.4 138.19 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 43.6 t -110.63 98.94 39.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 126.15 9.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.83 HD23 ' O ' ' A' ' 74' ' ' PRO . 56.3 tp -43.11 102.16 0.27 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.02 132.62 15.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.633 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.8 p -66.4 108.85 2.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.13 24.34 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -156.4 168.84 11.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.596 1.185 . . . . 0.0 110.003 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -58.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 p -96.41 35.77 1.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.482 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.7 ttt -77.69 115.66 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -108.44 -23.3 11.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.22 150.16 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.4 -179.31 16.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 ' HG2' ' A' ' 71' ' ' ARG . 4.9 m -131.49 130.53 42.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.642 HG22 ' HA ' ' A' ' 68' ' ' GLU . 37.2 mm -69.72 89.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.391 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.03 -64.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.11 153.79 32.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 110.219 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.61 ' NE1' HG21 ' A' ' 24' ' ' ILE . 68.3 m95 -99.12 79.9 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 108.052 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' TRP . 38.4 tp10 -38.31 -32.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 39.0 mmtt -109.98 167.19 10.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.232 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -130.73 176.17 8.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.14 137.23 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.55 40.67 90.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.84 121.04 35.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 0.788 . . . . 0.0 109.368 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 5.0 tttt -58.14 137.66 56.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.937 HG23 ' CG ' ' A' ' 39' ' ' ASP . 8.1 mt -124.14 136.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -113.52 131.72 55.96 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 121.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 -34.3 5.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.937 ' CG ' HG23 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -49.95 162.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 53' ' ' PHE . 58.7 tp -90.93 114.16 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -76.67 -46.33 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.27 165.37 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -106.79 154.48 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.5 t -135.68 134.31 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.6 mt-10 -95.76 119.93 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 48' ' ' LYS . 54.1 p -121.54 165.48 15.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -77.57 -70.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.81 -174.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.482 HG23 ' HG3' ' A' ' 45' ' ' GLU . 6.7 m -76.66 113.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.08 165.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.91 106.67 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.482 ' O ' HD12 ' A' ' 40' ' ' LEU . 9.9 t80 -76.79 114.76 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 0.5 OUTLIER -93.07 163.05 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 10.0 t -75.66 160.45 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.0 -18.64 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 55' ' ' SER . 5.9 pt-20 -162.57 171.16 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -82.67 112.85 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.7 p -156.22 -174.33 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -123.46 148.78 45.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 54.6 tpp -61.58 114.68 3.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.077 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.608 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -81.45 -63.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' ILE . 10.9 tptt -149.51 146.65 27.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 64' ' ' ILE . 29.1 mt -110.09 79.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.413 HD12 ' HB ' ' A' ' 78' ' ' ILE . 37.4 mt -47.91 -59.47 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.547 HG13 HG21 ' A' ' 70' ' ' THR . 3.8 t -94.83 122.32 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.27 -174.49 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -85.73 131.56 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.46 -22.3 26.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.422 1.076 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.547 HG21 HG13 ' A' ' 66' ' ' VAL . 99.8 m -57.56 103.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 85.8 mtm-85 -94.42 151.66 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 87.27 31.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.698 HG12 HD22 ' A' ' 12' ' ' LEU . 4.2 t -84.41 115.35 60.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.83 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.15 33.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.441 1.758 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.633 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.4 mm -78.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.84 -20.11 50.51 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.426 1.078 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.04 110.16 2.83 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -40.09 130.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 44.5 pt -102.17 -33.05 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -165.52 174.34 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.598 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -127.71 155.7 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.8 p -130.36 156.03 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 62' ' ' ALA . 14.8 m -133.81 -172.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.4 1.063 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.42 -9.55 19.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.58 1.175 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.87 154.79 44.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.61 16.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.79 -33.36 73.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -78.41 -36.36 45.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 93' ' ' LYS . 49.2 mt -44.59 -53.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.07 -33.95 65.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.247 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.11 -19.48 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.0 m-85 -102.55 -12.27 17.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.89 -20.55 23.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -125.98 68.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -121.23 149.82 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -135.44 122.76 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -78.16 141.9 38.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 40.7 t -112.71 96.08 35.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.9 122.93 7.56 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.968 HD23 ' O ' ' A' ' 74' ' ' PRO . 44.8 tp -40.01 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.0 131.62 14.5 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.76 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.652 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.4 p -65.63 108.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -92.24 23.69 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.476 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.51 170.84 7.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -63.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -93.27 35.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.476 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.5 ttt -73.34 115.31 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -108.24 -24.3 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.59 157.02 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.89 -178.71 17.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 71' ' ' ARG . 5.6 m -134.8 123.07 22.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.39 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.715 HG21 ' NE1' ' A' ' 27' ' ' TRP . 39.4 mm -63.43 93.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -63.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.69 148.86 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.715 ' NE1' HG21 ' A' ' 24' ' ' ILE . 82.4 m95 -95.48 89.36 5.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.481 ' CD ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -39.0 -44.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' TRP . 41.6 mmtt -96.82 179.32 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 61' ' ' MET . 7.7 mmtt -135.12 -175.96 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.84 125.78 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.644 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 84.06 12.12 77.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.78 135.03 34.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.4 tttm -68.7 137.79 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.435 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 50.4 mt -122.76 133.53 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.81 139.33 50.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.06 117.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.58 -44.37 1.52 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.419 1.075 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -44.27 134.63 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD23 ' CD ' ' A' ' 28' ' ' GLU . 35.6 tp -64.68 121.89 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.721 HD11 ' HA ' ' A' ' 55' ' ' SER . 62.8 mt -81.25 -46.94 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.61 156.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.45 141.96 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 51' ' ' VAL . 56.1 t -125.64 137.43 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.66 117.96 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.461 HG23 HG22 ' A' ' 51' ' ' VAL . 54.2 p -108.63 178.78 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -8.11 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 3.6 mmmt -98.47 -49.5 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 172.38 -174.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.1 m -76.48 119.99 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 44' ' ' VAL . 1.6 m -100.98 165.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -123.76 116.03 2.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HE2' HG11 ' A' ' 10' ' ' VAL . 6.1 t80 -85.09 113.69 21.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.69 152.85 18.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.721 ' HA ' HD11 ' A' ' 41' ' ' ILE . 32.9 t -71.96 150.43 44.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -98.49 -21.54 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -155.31 168.21 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 10.7 tt0 -83.27 108.33 16.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.9 p -146.28 -175.12 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' HB3' HD11 ' A' ' 89' ' ' ILE . 7.1 m-30 -118.95 147.42 44.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -62.82 99.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -67.91 -69.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.5 tptt -146.94 147.35 30.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 64' ' ' ILE . 62.9 mt -111.61 75.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' CG2' ' A' ' 78' ' ' ILE . 41.9 mt -43.81 -60.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.625 HG13 HG21 ' A' ' 70' ' ' THR . 4.1 t -91.17 118.48 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.84 -175.3 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.636 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -86.0 127.11 34.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 116.14 -25.15 9.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.625 HG21 HG13 ' A' ' 66' ' ' VAL . 37.7 m -53.17 103.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 0.795 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 11.7 mtt180 -93.45 147.15 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 t70 86.51 36.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.668 HG12 HD22 ' A' ' 12' ' ' LEU . 4.1 t -86.43 116.14 64.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.968 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 161.26 39.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.574 1.829 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.652 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.5 mm -75.6 136.04 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.67 -20.35 47.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 110.92 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.4 mm -40.88 127.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 12' ' ' LEU . 40.2 pt -102.4 -29.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.425 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 24.8 p -169.2 172.54 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.278 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.496 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -122.22 155.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.5 p -128.04 142.21 51.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 62' ' ' ALA . 7.8 m -124.54 -173.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.84 -15.44 7.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -140.23 155.46 70.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.75 15.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.91 -21.98 66.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 -23.31 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.644 HD13 ' HA2' ' A' ' 32' ' ' GLY . 35.8 mt -60.31 -40.09 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.15 -33.54 74.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.05 -23.11 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.7 m-85 -96.54 -22.78 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.64 ' HE3' HG22 ' A' ' 89' ' ' ILE . 1.7 ttmt -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.59 76.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.423 ' C ' HG23 ' A' ' 96' ' ' THR . 80.1 t80 -117.39 153.52 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 95' ' ' TYR . 35.9 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -143.25 121.29 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -80.57 138.63 36.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 97.2 t -111.22 98.47 39.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.97 9.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 74' ' ' PRO . 53.7 tp -40.93 100.72 0.23 Allowed Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.36 14.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.654 ' HB3' HG21 ' A' ' 75' ' ' ILE . 85.2 p -65.24 108.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -92.35 24.32 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -155.14 170.0 9.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -60.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.9 p -96.13 36.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.48 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.4 ttt -75.12 117.44 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -108.37 -27.21 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.95 147.56 6.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.79 178.91 17.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 71' ' ' ARG . 3.5 m -128.37 128.04 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.642 HG21 ' NE1' ' A' ' 27' ' ' TRP . 41.6 mm -67.64 90.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.04 167.48 29.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.844 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 77.2 m95 -114.28 88.74 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 108.071 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.28 -32.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -118.23 154.43 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -112.09 -172.46 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 52.8 mt-10 -78.48 120.46 23.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.693 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 94.93 3.89 61.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.66 130.89 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.1 tttt -65.84 138.26 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.216 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.432 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 11.7 mt -123.62 132.04 72.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.44 133.29 54.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.88 122.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.17 -43.17 1.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -47.42 152.24 0.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 53' ' ' PHE . 41.0 tp -79.14 136.85 37.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.12 -44.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.844 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -167.59 161.85 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -109.4 148.76 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.6 130.68 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.97 115.85 27.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 48' ' ' LYS . 35.4 p -117.69 158.66 24.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.12 -25.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.693 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -77.83 -48.03 17.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 163.6 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -76.76 114.84 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.89 166.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.28 113.22 1.97 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.632 ' O ' HD12 ' A' ' 40' ' ' LEU . 11.5 t80 -81.63 112.15 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.86 166.15 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -82.37 156.03 24.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.15 -20.27 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -154.01 161.02 42.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.17 124.35 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.3 p -171.83 -174.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 108.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.481 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.9 m-85 -124.56 155.94 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.5 tpp -69.49 120.39 15.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -85.52 -52.95 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' ILE . 14.7 tptt -157.79 144.86 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 64' ' ' ILE . 48.2 mt -110.26 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.1 mt -43.41 -60.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.686 HG13 HG21 ' A' ' 70' ' ' THR . 2.9 t -92.94 118.31 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.1 -179.07 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.506 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -78.25 139.21 38.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.35 -19.87 50.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.416 1.072 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.686 HG21 HG13 ' A' ' 66' ' ' VAL . 47.9 m -61.15 102.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 82.6 mtt180 -93.94 153.53 18.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 m-20 85.54 31.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.685 HG12 HD22 ' A' ' 12' ' ' LEU . 3.8 t -85.99 114.6 57.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.958 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 163.77 34.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.595 1.84 . . . . 0.0 111.052 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.654 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.9 mm -77.82 131.42 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.63 -23.82 34.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.4 110.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.9 mm -40.3 129.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 36.1 pt -101.35 -32.45 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.0 p -167.53 175.69 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.2 mt -125.88 155.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.3 p -130.67 147.77 52.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.0 m -130.32 -172.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.46 13.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -147.57 157.37 44.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.96 -26.21 11.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.41 -28.69 45.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.413 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -89.55 -28.85 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.693 HD13 ' HA2' ' A' ' 32' ' ' GLY . 51.4 mt -53.66 -41.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.73 -34.77 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.38 -31.3 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.523 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 9.0 m-85 -88.56 -22.75 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -49.97 -24.47 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -126.22 70.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -120.42 144.32 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.7 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 p -170.67 106.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.67 93.44 7.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.949 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.86 -89.0 2.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -93.57 138.44 31.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.583 0.814 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -127.6 90.37 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -126.2 -171.8 13.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.8 tt0 -139.68 124.19 18.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 0.777 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -83.43 139.54 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -111.32 97.76 37.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.01 122.52 7.25 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 74' ' ' PRO . 43.0 tp -39.99 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.1 Cg_endo -75.11 131.57 14.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.587 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.6 p -63.96 107.25 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.979 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.66 22.86 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.18 171.99 6.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 p -93.3 35.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.475 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.483 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.3 ttt -73.5 111.97 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -104.91 -25.68 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.3 147.64 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -130.52 -175.03 13.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HG2' ' A' ' 71' ' ' ARG . 8.1 m -135.79 128.16 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.621 HG21 ' NE1' ' A' ' 27' ' ' TRP . 50.1 mm -66.38 92.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -54.16 -63.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.58 154.03 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.621 ' NE1' HG21 ' A' ' 24' ' ' ILE . 81.6 m95 -99.55 82.32 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.54 ' HG3' HD23 ' A' ' 40' ' ' LEU . 4.2 mm-40 -38.81 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 21.3 mmtt -114.26 161.06 18.33 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.22 179.82 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -69.82 130.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 88.16 -9.74 73.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.44 1.088 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.72 131.74 40.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 2.6 tttm -71.49 135.08 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -119.25 140.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -124.76 144.43 50.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.03 123.66 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.36 -41.91 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -47.37 132.82 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD23 ' HG3' ' A' ' 28' ' ' GLU . 17.0 tp -63.66 126.67 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 53.2 mt -93.37 -37.48 8.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.566 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -177.02 166.93 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.369 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.622 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 68.6 mt-10 -111.62 144.18 41.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.24 136.0 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -96.65 116.64 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.441 ' C ' ' N ' ' A' ' 48' ' ' LYS . 48.9 p -122.44 156.09 34.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.18 -29.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.641 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -73.99 -53.32 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.32 -174.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 m -78.68 108.28 11.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.43 165.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.22 124.04 5.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.53 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.6 t80 -90.54 115.08 27.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.15 154.18 18.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 33.5 t -71.08 158.74 35.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -176.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 59' ' ' CYS . 18.9 tt0 -74.02 143.99 45.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.402 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 1.6 p 169.99 -174.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.684 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.0 m-85 -129.36 151.34 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.5 tpp -63.3 109.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.654 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -73.18 -67.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' ILE . 4.4 tptt -148.31 146.7 28.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.2 mt -110.95 75.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.4 mt -45.49 -59.86 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 70' ' ' THR . 3.3 t -93.23 121.41 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.24 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.609 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -86.73 130.43 34.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.19 -23.86 17.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.584 HG21 HG13 ' A' ' 66' ' ' VAL . 88.5 m -54.29 102.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.561 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 61.9 mtm180 -92.44 149.27 21.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 12.6 t0 86.52 35.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.656 HG12 HD22 ' A' ' 12' ' ' LEU . 5.2 t -87.01 115.56 63.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.985 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -74.96 164.99 32.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.587 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.1 mm -79.89 132.25 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.88 -19.37 54.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.6 108.54 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 78' ' ' ILE . 5.2 mm -39.9 123.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 12' ' ' LEU . 29.9 pt -96.78 -31.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 14.0 p -165.5 177.48 7.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.654 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -129.82 154.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 8' ' ' GLN . 23.4 p -130.66 152.67 49.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.58 -173.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.38 -9.86 28.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.66 154.98 32.26 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.529 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -16.24 32.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 -33.65 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.684 HD11 ' HB2' ' A' ' 60' ' ' TYR . 97.6 mt -44.41 -55.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -51.07 7.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.23 73.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.7 m-85 -84.01 -9.2 58.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 89' ' ' ILE . 13.6 tttt -59.53 -30.61 68.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -119.18 70.89 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -117.66 144.96 44.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.4 p -147.09 137.39 23.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.137 . . . . 0.0 110.428 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.08 105.34 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.13 96.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -61.05 94.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.073 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 87.4 p -177.35 109.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.33 159.67 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.14 -62.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.3 m -162.36 93.21 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.975 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.93 -160.59 13.11 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.99 5.47 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.7 p -117.29 -58.52 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.6 t 49.59 93.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.973 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 39.83 81.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 p -143.71 89.26 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.952 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.97 156.26 9.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -56.22 -51.73 67.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.74 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.53 -172.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.2 -175.25 14.01 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.434 1.084 . . . . 0.0 111.043 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.1 tt0 -143.22 122.0 12.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -79.16 136.93 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.8 97.81 39.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 131.1 14.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 73' ' ' VAL . 43.4 tp -46.26 104.28 0.39 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.61 1.194 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -64.75 110.12 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.0 mt -96.84 13.48 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -155.36 169.99 9.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.0 p -92.19 32.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.549 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -68.24 131.22 44.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -118.91 -35.21 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.15 147.77 11.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.83 -173.56 13.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.563 HG21 ' HG2' ' A' ' 71' ' ' ARG . 17.8 m -136.76 137.96 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.582 HG21 ' NE1' ' A' ' 27' ' ' TRP . 31.9 mm -73.51 87.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -151.24 154.18 36.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 48.2 m95 -100.73 80.52 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -37.6 -36.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -110.63 171.13 7.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -134.66 177.46 7.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.45 132.11 47.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.526 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 77.05 34.62 41.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -113.44 158.93 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -95.33 134.67 37.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.961 HG23 ' CG ' ' A' ' 39' ' ' ASP . 11.5 mt -123.64 131.88 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 74.5 m-20 -113.63 133.75 55.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -38.62 120.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.03 -34.26 5.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.961 ' CG ' HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -50.61 161.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD11 ' CA ' ' A' ' 52' ' ' GLY . 53.8 tp -93.21 113.6 25.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.0 mt -73.77 -50.27 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.595 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.47 169.62 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.41 158.44 17.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.42 134.64 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.697 ' HG3' HG23 ' A' ' 50' ' ' THR . 10.4 mt-10 -96.4 121.94 38.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -125.03 168.45 13.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 -23.68 2.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.7 mmpp? -80.91 -59.54 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 173.95 -174.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.697 HG23 ' HG3' ' A' ' 45' ' ' GLU . 4.3 m -77.35 116.57 18.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.48 166.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -119.7 114.99 2.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 40' ' ' LEU . 17.8 t80 -84.04 115.18 22.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 6.1 mp0 -94.41 162.67 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -81.66 153.21 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.62 -25.57 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -144.59 173.15 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.71 122.94 33.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.3 p -170.15 -171.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.635 ' HB2' HD11 ' A' ' 89' ' ' ILE . 3.1 m-85 -123.39 162.22 23.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -70.93 118.69 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.77 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -83.8 -63.46 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -149.05 148.68 29.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 64' ' ' ILE . 49.0 mt -113.11 76.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.117 HD13 HD11 ' A' ' 97' ' ' LEU . 39.2 mt -44.98 -59.99 2.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.501 HG13 HG21 ' A' ' 70' ' ' THR . 3.6 t -94.16 121.39 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.41 -177.05 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.07 129.71 34.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 112.77 -26.13 11.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.501 HG21 HG13 ' A' ' 66' ' ' VAL . 82.0 m -54.05 102.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 23' ' ' THR . 99.6 mtt180 -90.09 150.01 22.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.4 t0 83.71 40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.474 HG12 HD22 ' A' ' 12' ' ' LEU . 13.5 t -85.89 114.46 57.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.04 43.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.549 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -75.02 136.63 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.195 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.7 -16.29 61.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.573 1.171 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.41 108.03 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.539 ' HB ' HD12 ' A' ' 65' ' ' LEU . 4.1 mm -40.3 123.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.3 pt -96.45 -29.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.5 p -166.87 176.1 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 108.267 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.619 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.4 mt -129.84 155.31 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' GLN . 7.1 p -128.68 160.26 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 62' ' ' ALA . 26.9 m -133.54 -170.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.07 -18.35 9.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -143.78 157.91 57.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.524 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -13.04 21.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.35 -9.4 59.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.635 HD11 ' HB2' ' A' ' 60' ' ' TYR . 70.2 mt -69.8 -53.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.5 -33.64 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.05 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 95' ' ' TYR . 2.2 m-85 -92.82 -7.05 47.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -53.38 -21.11 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -126.19 60.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.454 ' CD2' ' CE1' ' A' ' 92' ' ' PHE . 18.3 t80 -101.97 147.88 26.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -138.02 166.9 22.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.117 HD11 HD13 ' A' ' 65' ' ' LEU . 4.9 mp -91.2 121.08 32.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -117.23 127.73 54.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 t -63.93 -62.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.967 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -62.46 105.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.86 123.76 2.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.81 -60.45 3.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 t -165.89 -58.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 60.49 162.51 0.13 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.95 38.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.7 m -127.17 82.56 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.0 m -86.2 -58.57 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.98 155.12 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -96.29 167.1 11.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.041 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.09 178.17 4.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.96 -50.19 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 0.0 110.015 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -167.55 68.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -126.78 -177.09 14.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.516 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -140.12 123.11 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.797 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -80.59 138.65 36.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t -113.08 95.5 34.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.3 10.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 74' ' ' PRO . 47.2 tp -43.03 102.34 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.13 26.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.574 1.828 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 p -62.78 107.97 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.37 6.67 47.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.211 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.3 OUTLIER -149.89 165.18 18.16 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -54.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.584 1.834 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -97.15 36.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.544 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -77.36 134.34 38.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.19 -37.39 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.0 149.42 14.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.68 -173.3 13.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' HG2' ' A' ' 71' ' ' ARG . 5.2 m -139.36 137.36 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.36 91.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -63.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -148.19 150.15 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.63 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 20.0 m95 -95.34 76.27 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -39.88 -29.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 27' ' ' TRP . 31.4 mmtt -125.27 128.0 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.69 -177.34 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 62' ' ' ALA . 9.1 mt-10 -69.75 136.06 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.89 6.34 89.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 126.66 37.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -68.16 137.08 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.378 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 25.9 mt -122.23 127.11 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -107.03 138.61 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.82 119.22 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.52 -44.64 1.43 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -44.72 140.36 2.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.499 0.764 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 53' ' ' PHE . 44.5 tp -67.24 130.16 42.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mt -93.77 -45.56 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.63 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -169.79 166.95 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -112.72 136.48 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.2 t -117.17 133.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -91.54 118.92 31.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 p -117.05 170.31 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.33 -17.2 18.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.2 mmtt -86.95 -48.9 7.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.46 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -76.96 110.26 11.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.19 163.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.28 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.806 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.7 t80 -84.69 120.98 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 0.799 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -96.8 169.24 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 44.0 t -87.44 153.85 21.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.84 -25.36 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -157.74 170.03 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 59' ' ' CYS . 12.2 tt0 -74.97 143.64 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.419 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 1.8 p 168.5 -173.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.946 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.9 m-85 -125.36 151.41 46.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.464 ' O ' HD13 ' A' ' 89' ' ' ILE . 31.5 tpp -61.38 111.04 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -75.23 -65.63 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -144.82 150.53 37.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.554 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 71.9 mt -117.29 79.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' A' ' 97' ' ' LEU . 51.7 mt -47.38 -57.09 5.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.786 HG13 HG21 ' A' ' 70' ' ' THR . 6.5 t -86.15 119.8 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.66 -162.43 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 3.4 mt-10 -93.55 138.61 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' THR . . . 93.11 -30.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.786 HG21 HG13 ' A' ' 66' ' ' VAL . 77.3 m -36.37 104.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HG2' HG21 ' A' ' 23' ' ' THR . 16.3 mtp180 -94.75 153.28 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 m-20 78.24 50.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.402 HG12 HD22 ' A' ' 12' ' ' LEU . 7.2 t -92.78 113.46 59.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.456 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.0 Cg_endo -75.06 156.25 42.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.433 1.754 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.8 OUTLIER -73.09 141.07 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.87 -10.15 66.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 107.17 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.576 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.6 mm -40.35 120.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.152 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.508 ' HA ' HG23 ' A' ' 66' ' ' VAL . 49.1 pt -92.79 -31.17 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.4 p -166.62 174.71 8.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.527 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -128.27 156.51 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.9 p -129.06 159.21 36.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.451 ' CG2' HG12 ' A' ' 89' ' ' ILE . 2.0 m -135.7 -176.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.13 -10.46 39.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' OD2' ' A' ' 88' ' ' ASP . 1.6 ptpm? -150.47 157.54 36.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.342 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -36.94 2.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.24 -22.84 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' OD2' ' CG ' ' A' ' 85' ' ' LYS . 0.9 OUTLIER -84.38 -31.29 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.946 HD11 ' HB2' ' A' ' 60' ' ' TYR . 53.2 mt -52.94 -52.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -46.81 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.03 82.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.4 m-85 -80.67 -8.43 59.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -13.11 57.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -132.88 52.96 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.61 158.27 16.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.6 p -151.29 150.9 31.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.515 HD11 ' CD1' ' A' ' 65' ' ' LEU . 8.4 mp -89.05 107.12 18.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.75 114.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.0 p -171.41 157.3 4.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.062 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.4 t -124.51 83.92 2.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.12 152.73 44.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.0 102.54 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -115.3 90.1 3.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.01 -161.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 151.8 40.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.9 t 55.95 92.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.76 163.45 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.079 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -62.51 92.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.949 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 t -61.42 -56.05 24.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.12 -98.76 2.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -60.54 -58.46 8.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.434 0.726 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.4 123.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.963 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -141.09 -165.44 10.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.6 tt0 -139.57 120.79 14.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -80.5 141.72 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 t -113.01 95.36 34.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.91 130.57 13.49 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.645 HD22 HG12 ' A' ' 73' ' ' VAL . 59.1 tp -45.28 103.72 0.36 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 139.96 24.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.66 107.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.054 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.28 9.16 35.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.16 165.79 16.71 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 0.0 110.005 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.93 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.9 p -94.47 32.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.528 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -73.22 134.98 44.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.4 OUTLIER -121.1 -37.02 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.11 148.73 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.51 -173.49 13.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.584 HG21 ' HG2' ' A' ' 71' ' ' ARG . 13.9 m -139.01 130.66 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 0.809 . . . . 0.0 110.477 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' A' ' 68' ' ' GLU . 3.4 mm -66.13 92.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -53.05 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.19 154.52 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 42.5 m95 -99.37 85.59 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.09 -26.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 110.351 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -119.98 162.14 19.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' MET . 2.1 mmmm -128.51 -177.51 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.99 123.78 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.09 -1.91 65.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.85 135.17 34.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -74.74 136.19 41.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 15.8 mt -115.1 118.24 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.61 134.78 47.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.88 122.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.97 -37.08 3.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.19 135.16 57.03 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 53' ' ' PHE . 68.4 tp -62.39 144.45 55.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.1 mt -108.5 -42.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -173.57 151.27 1.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 23.1 mt-10 -96.65 142.13 29.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.6 134.25 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.625 ' HG3' HG23 ' A' ' 50' ' ' THR . 3.4 mt-10 -95.55 121.67 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.228 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -127.37 167.03 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.1 -21.37 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 4.9 tttp -81.03 -52.14 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.238 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.88 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.625 HG23 ' HG3' ' A' ' 45' ' ' GLU . 16.5 m -79.16 107.86 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -91.18 165.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.28 119.82 3.99 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.476 1.11 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.755 ' O ' HD12 ' A' ' 40' ' ' LEU . 7.1 t80 -86.53 116.55 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.34 165.77 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.426 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 30.2 t -78.63 156.03 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -104.01 -12.08 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -174.43 171.52 3.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.38 140.4 48.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 p 177.18 -171.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 108.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.744 ' CB ' HD11 ' A' ' 89' ' ' ILE . 17.8 m-85 -131.15 149.21 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.38 109.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.637 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -76.73 -67.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -149.76 148.94 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 64' ' ' ILE . 34.8 mt -113.2 77.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.541 HD13 HD11 ' A' ' 97' ' ' LEU . 46.2 mt -45.86 -59.79 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.696 HG13 HG21 ' A' ' 70' ' ' THR . 3.4 t -91.8 117.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.35 -176.62 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.504 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.84 136.08 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.07 -19.71 45.49 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.696 HG21 HG13 ' A' ' 66' ' ' VAL . 25.7 m -56.06 102.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 0.808 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.584 ' HG2' HG21 ' A' ' 23' ' ' THR . 8.4 mtt180 -88.5 149.3 23.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 82.91 45.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.645 HG12 HD22 ' A' ' 12' ' ' LEU . 19.6 t -89.96 113.15 56.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.46 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -72.79 138.73 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.23 -14.58 61.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.84 112.76 7.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.5 mm -45.2 123.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 pt -97.03 -29.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.507 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 32.1 p -167.27 174.31 8.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.298 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.637 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 mt -125.62 153.37 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 p -127.97 151.67 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.572 HG22 ' HB2' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -129.81 179.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.49 -13.54 38.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 157.27 35.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -28.73 8.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.38 -24.42 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.35 17.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 60' ' ' TYR . 71.8 mt -44.26 -51.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -48.98 -42.72 38.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.2 -35.13 78.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 7.5 m-85 -83.94 -8.57 59.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 7.1 tttm -52.89 -27.24 17.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -129.2 78.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -120.4 136.38 54.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.3 p -137.04 153.01 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.541 HD11 HD13 ' A' ' 65' ' ' LEU . 4.9 mp -85.73 80.36 9.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.11 120.46 9.21 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 96.9 p -41.18 107.46 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.6 t 63.01 103.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.66 164.13 25.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.05 71.6 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.14 95.87 3.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.052 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -81.31 130.72 9.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.46 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 m -49.37 109.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.057 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -56.49 146.08 25.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.963 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 t -108.3 137.12 46.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.804 . . . . 0.0 110.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -70.75 127.38 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.94 -68.0 0.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.36 159.59 33.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.974 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 m -125.79 79.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -126.73 -171.09 13.02 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.9 tt0 -143.12 121.67 12.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 0.814 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -78.78 140.9 38.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.67 97.25 36.33 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.06 124.75 8.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.922 HD23 ' O ' ' A' ' 74' ' ' PRO . 62.5 tp -40.36 100.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.81 15.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.594 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.3 p -65.54 107.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 ' HB ' ' A' ' 44' ' ' VAL . 17.6 mt -91.71 23.06 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -154.8 171.46 7.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -65.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -91.7 34.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.481 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.0 ttt -73.57 112.55 9.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.27 -25.29 12.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.0 147.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.09 -178.41 15.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.566 HG21 ' HG2' ' A' ' 71' ' ' ARG . 7.3 m -134.47 125.18 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.383 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.627 HG22 ' HA ' ' A' ' 68' ' ' GLU . 38.0 mm -63.68 98.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -58.38 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.6 152.15 19.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 84.3 m95 -96.19 91.97 6.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.666 ' HG3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -50.05 -22.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -119.61 168.1 11.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 61' ' ' MET . 1.2 mmtt -125.14 -175.11 3.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.34 128.54 33.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.598 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 83.67 20.15 60.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.46 135.97 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -67.59 138.13 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 97.6 mt -120.7 119.05 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -106.23 139.33 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.22 120.57 2.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.92 -36.05 4.58 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.128 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -53.09 147.86 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.666 HD23 ' HG3' ' A' ' 28' ' ' GLU . 6.4 tp -75.82 124.37 27.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.7 mt -91.11 -45.01 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 156.52 1.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 29.2 mt-10 -102.3 140.67 36.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' HB ' HD12 ' A' ' 15' ' ' LEU . 60.5 t -117.57 135.58 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.655 ' HG3' HG23 ' A' ' 50' ' ' THR . 9.8 mt-10 -99.02 115.01 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.3 p -117.88 167.3 11.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.051 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.59 -22.44 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 7.3 tttt -80.24 -52.43 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 168.17 -174.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.655 HG23 ' HG3' ' A' ' 45' ' ' GLU . 23.5 m -80.14 111.51 16.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.137 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.1 t -92.79 165.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -122.13 115.44 2.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.2 t80 -81.29 108.54 15.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 0.758 . . . . 0.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -91.89 144.28 25.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -67.31 136.19 54.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -111.12 19.49 18.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -165.29 -175.85 3.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.26 109.03 14.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 p -156.5 -173.89 4.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -119.32 150.22 40.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -62.49 99.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -68.0 -69.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -147.24 151.44 36.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.4 mt -115.52 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.4 mt -46.25 -59.3 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.689 HG13 HG21 ' A' ' 70' ' ' THR . 5.3 t -90.53 118.08 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 -171.98 3.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.28 -20.06 28.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.689 HG21 HG13 ' A' ' 66' ' ' VAL . 18.2 m -54.82 103.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 0.737 . . . . 0.0 110.382 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' HG21 ' A' ' 23' ' ' THR . 77.2 mtm180 -93.16 147.55 22.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 7.8 t0 86.23 37.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.361 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.74 HG12 HD22 ' A' ' 12' ' ' LEU . 3.3 t -89.13 114.71 61.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.922 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.96 164.15 33.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.594 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.0 mm -79.08 130.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.9 -20.46 47.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 109.36 2.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 0.816 . . . . 0.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -39.73 129.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 39.8 pt -104.77 -27.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.464 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 31.2 p -169.37 173.1 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -125.69 156.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.8 p -129.04 151.22 49.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 ' HB3' ' A' ' 88' ' ' ASP . 5.0 m -134.0 -172.49 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.83 -12.49 10.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -145.69 154.96 52.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -15.46 20.74 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.533 1.807 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.67 -23.62 66.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.497 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -92.44 -23.31 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.598 HD13 ' HA2' ' A' ' 32' ' ' GLY . 33.1 mt -59.41 -41.14 83.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -34.15 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.2 -31.36 62.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' CE1' HG21 ' A' ' 81' ' ' ILE . 2.8 m-85 -86.5 -25.85 24.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -37.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -114.57 69.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.405 ' C ' HG23 ' A' ' 96' ' ' THR . 82.2 t80 -114.19 151.5 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.405 HG23 ' C ' ' A' ' 95' ' ' TYR . 30.6 p -151.42 131.28 13.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 64.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.234 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.28 105.96 13.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.98 109.46 0.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.38 158.28 38.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 62.84 149.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 46.85 62.83 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.5 p -51.47 94.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 136.2 -171.22 22.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 133.76 17.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.77 16.91 5.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.55 74.01 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.095 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -56.77 98.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.052 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -85.03 113.7 21.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.33 -67.34 0.44 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -54.8 125.47 20.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 0.729 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.498 ' O ' HG12 ' A' ' 83' ' ' VAL . 55.1 m -114.17 98.03 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.946 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.4 166.16 22.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.1 tt0 -129.93 127.59 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -80.43 136.3 36.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.52 97.16 35.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.33 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.514 HD22 HG12 ' A' ' 73' ' ' VAL . 42.4 tp -46.89 104.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.69 28.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -62.43 108.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -94.63 13.24 24.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.03 169.24 10.58 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -62.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.565 1.824 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.0 p -94.02 33.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -68.56 134.58 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 19' ' ' MET . 0.9 OUTLIER -121.35 -37.36 2.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.5 145.83 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -171.76 13.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.577 HG21 ' HG2' ' A' ' 71' ' ' ARG . 18.1 m -137.47 138.17 39.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.865 HG21 ' NE1' ' A' ' 27' ' ' TRP . 4.5 mm -75.84 85.05 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.32 -65.41 0.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 156.6 41.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.865 ' NE1' HG21 ' A' ' 24' ' ' ILE . 73.7 m95 -105.06 80.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 108.01 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -38.63 -32.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 24.4 mmtt -122.87 136.22 54.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -105.0 -170.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.92 134.46 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.04 80.34 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.88 139.19 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttm -79.76 137.59 37.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.475 HG21 HG12 ' A' ' 41' ' ' ILE . 18.3 mt -118.15 98.11 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -77.8 133.45 38.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.64 124.9 1.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.41 -34.28 5.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.19 150.73 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 53' ' ' PHE . 57.5 tp -77.7 122.22 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG12 HG21 ' A' ' 35' ' ' ILE . 30.0 mt -84.12 -44.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.29 164.5 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -107.39 156.58 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.1 t -133.51 137.17 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.33 121.43 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.3 p -127.26 165.02 20.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -22.72 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -79.86 -52.19 8.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -79.5 111.48 15.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.96 163.5 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.4 108.16 1.24 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.699 ' O ' HD12 ' A' ' 40' ' ' LEU . 12.5 t80 -75.32 117.57 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.85 164.76 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -94.33 144.38 25.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.7 mt -117.98 17.16 14.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.2 172.17 17.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.3 120.07 41.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 p -170.95 -173.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -123.44 151.37 42.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -61.6 115.29 3.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.954 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.682 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -78.79 -65.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 31.1 tptt -148.2 148.82 30.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 64' ' ' ILE . 60.0 mt -112.34 75.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.963 HD13 HD11 ' A' ' 97' ' ' LEU . 51.0 mt -41.73 -61.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.481 HG13 HG21 ' A' ' 70' ' ' THR . 2.7 t -95.77 119.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.57 -174.46 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -86.85 128.54 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -30.63 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.481 HG21 HG13 ' A' ' 66' ' ' VAL . 26.6 m -53.12 101.94 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HG2' HG21 ' A' ' 23' ' ' THR . 8.1 mtm180 -88.68 149.4 23.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t70 85.93 40.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG12 HD22 ' A' ' 12' ' ' LEU . 20.7 t -84.95 114.15 54.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.95 42.75 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -73.09 139.78 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.17 -17.79 51.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 108.96 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.539 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.9 mm -39.54 132.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 pt -105.87 -29.25 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.1 p -167.16 174.96 7.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.682 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -129.91 154.6 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.3 p -126.77 155.32 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 6' ' ' SER . 2.7 m -131.2 -173.65 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.56 -13.69 29.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -150.36 158.34 36.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.01 -26.14 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.48 -19.89 64.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.19 -33.71 20.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 93' ' ' LYS . 68.6 mt -46.11 -55.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -45.63 -44.75 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.77 79.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 15.4 m-85 -86.2 -6.98 58.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.9 ttpt -58.75 -32.55 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -115.86 68.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -116.82 145.22 43.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.8 p -140.53 156.87 46.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.963 HD11 HD13 ' A' ' 65' ' ' LEU . 7.3 mp -86.47 64.13 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.57 92.39 3.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 t -174.91 -57.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.13 92.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.033 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -151.31 109.04 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.51 144.61 51.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.26 -60.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.23 100.04 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 72.26 4.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.3 p 41.3 82.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.2 p -75.97 112.48 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.43 1.081 . . . . 0.0 110.955 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -84.76 123.44 30.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 0.733 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -178.25 151.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.77 -146.52 8.05 Favored Glycine 0 CA--C 1.528 0.89 0 O-C-N 124.548 1.155 . . . . 0.0 111.04 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.62 163.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 0.699 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.587 ' O ' HG12 ' A' ' 83' ' ' VAL . 14.1 m -158.47 127.58 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.196 . . . . 0.0 109.936 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -128.19 172.68 19.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.14 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.6 tt0 -123.07 127.28 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.35 135.19 35.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.7 t -110.39 98.92 38.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 126.08 9.76 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.562 1.822 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.963 HD23 ' O ' ' A' ' 74' ' ' PRO . 49.9 tp -41.58 101.22 0.24 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.624 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.7 p -66.23 108.05 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -153.97 169.4 10.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 p -97.08 37.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.468 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.474 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.5 ttt -78.16 112.61 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -105.09 -24.86 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.35 145.92 5.94 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.55 -175.8 14.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.524 HG21 ' HG2' ' A' ' 71' ' ' ARG . 7.1 m -134.69 133.6 40.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 0.793 . . . . 0.0 110.406 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.632 HG21 ' NE1' ' A' ' 27' ' ' TRP . 47.8 mm -71.79 90.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.99 -63.96 0.97 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.79 156.26 39.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.632 ' NE1' HG21 ' A' ' 24' ' ' ILE . 50.7 m95 -104.28 79.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 16.4 tp10 -38.11 -32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 27' ' ' TRP . 46.0 mmtt -111.52 164.54 12.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -130.11 178.53 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.69 122.16 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.477 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 83.95 37.61 11.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.78 123.19 41.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -61.35 132.79 54.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 mt -114.03 104.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -82.5 129.74 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.81 123.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.402 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 104.86 -38.9 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.46 151.44 3.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 0.758 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 53' ' ' PHE . 58.7 tp -77.98 130.71 36.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -91.59 -47.94 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -170.98 161.99 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.85 157.54 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -137.61 136.32 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.2 mt-10 -98.67 122.63 42.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 p -127.34 165.62 19.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.52 -22.31 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -81.02 -52.03 7.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.26 -175.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.537 HG23 ' HG3' ' A' ' 45' ' ' GLU . 7.5 m -79.07 112.76 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.02 165.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.61 110.58 1.51 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.694 ' O ' HD12 ' A' ' 40' ' ' LEU . 16.8 t80 -78.3 112.97 15.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 24.0 mt-10 -92.79 169.33 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -95.95 137.16 35.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.937 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -109.24 12.86 24.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.33 169.73 20.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -102.49 122.15 43.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -170.87 -173.71 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.617 ' HB2' HD11 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -127.0 157.1 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.968 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 53.8 tpp -66.23 112.83 4.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.525 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -80.04 -59.44 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -149.55 147.69 28.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 64' ' ' ILE . 41.7 mt -113.42 79.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.959 HD13 HD11 ' A' ' 97' ' ' LEU . 52.8 mt -50.22 -57.6 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 70' ' ' THR . 2.9 t -96.73 123.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.16 -176.44 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.602 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -83.7 128.21 34.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 114.93 -29.84 7.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.45 1.094 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.57 HG21 HG13 ' A' ' 66' ' ' VAL . 59.2 m -49.21 102.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 69.1 mtt180 -92.23 149.44 21.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 8.0 t70 85.88 36.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.7 HG12 HD22 ' A' ' 12' ' ' LEU . 3.9 t -87.21 115.1 61.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.963 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.95 164.67 32.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.556 1.819 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.6 mm -80.64 129.93 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.51 -20.98 42.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.13 109.68 3.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -39.89 129.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 49.7 pt -100.11 -33.65 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 24.7 p -166.28 175.26 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.4 mt -128.45 154.55 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 p -134.6 155.58 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 6' ' ' SER . 1.8 m -127.08 -179.38 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.9 -11.97 41.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 155.71 67.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -17.94 19.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.15 -25.52 58.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.7 -16.74 58.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' ' 60' ' ' TYR . 40.7 mt -65.19 -53.27 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.97 -29.68 43.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.78 -21.23 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 1.5 m-85 -102.66 -11.2 18.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 3.4 tttm -52.87 -21.53 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -126.04 71.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -120.22 142.63 48.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.3 p -139.4 170.32 16.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.959 HD11 HD13 ' A' ' 65' ' ' LEU . 2.9 mp -97.53 -103.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.235 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -40.43 106.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.5 p -98.28 -51.91 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.73 -62.13 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.51 126.22 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.64 130.9 37.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -121.43 157.67 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.76 171.64 36.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.98 37.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 m -132.76 140.99 48.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 110.03 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.6 m -54.4 166.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -161.42 -55.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 0.725 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.63 169.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.17 -175.54 41.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.438 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 40.1 p -149.48 166.61 28.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -110.7 77.97 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . -130.37 166.74 22.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.4 tt0 -124.02 125.99 45.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -80.1 139.19 36.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.45 96.49 36.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.14 11.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.771 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.61 103.35 0.33 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.14 32.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.8 p -64.34 110.14 2.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.6 mt -97.32 9.86 41.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.68 169.35 9.77 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.977 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -90.79 32.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.552 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -71.19 129.54 39.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -117.91 -32.59 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.63 150.61 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.74 -175.89 14.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.596 HG21 ' HG2' ' A' ' 71' ' ' ARG . 12.4 m -137.68 127.51 25.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.611 HG21 ' NE1' ' A' ' 27' ' ' TRP . 22.2 mm -63.29 87.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.25 -64.88 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.67 150.9 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.621 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 53.8 m95 -97.39 79.91 2.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.29 -35.99 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -114.52 152.86 31.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -118.39 179.24 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.29 130.83 44.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.37 16.97 67.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.2 128.9 51.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 0.717 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -68.07 136.27 53.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -121.01 117.86 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' GLU . 1.6 m120 -100.57 134.4 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ASN . 1.6 tm-20 -38.92 119.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.4 -29.75 10.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.43 132.71 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 53' ' ' PHE . 42.3 tp -61.15 122.57 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.298 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.5 -47.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -171.87 162.61 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.75 138.08 44.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 94.1 t -120.6 136.5 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.653 ' HG3' HG23 ' A' ' 50' ' ' THR . 2.5 mt-10 -96.35 115.81 28.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 51' ' ' VAL . 38.0 p -109.33 167.88 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -54.63 -19.79 6.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 8.1 tttt -84.49 -55.5 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 175.05 -173.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.226 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.653 HG23 ' HG3' ' A' ' 45' ' ' GLU . 4.7 m -75.56 118.66 18.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG22 HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -107.09 147.1 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.33 125.71 8.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.419 ' O ' HD12 ' A' ' 40' ' ' LEU . 5.5 t80 -94.11 109.89 21.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.12 158.6 16.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -84.0 147.71 27.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.6 mt -116.07 15.68 16.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -162.93 -179.33 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -113.18 124.42 52.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 p -177.03 -173.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.561 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.2 m-85 -120.63 157.13 30.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.75 114.44 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.656 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -78.26 -64.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -148.37 148.9 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 64' ' ' ILE . 39.2 mt -113.32 74.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.442 HD12 ' HB ' ' A' ' 78' ' ' ILE . 42.7 mt -41.9 -61.3 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG13 HG21 ' A' ' 70' ' ' THR . 3.2 t -93.43 118.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.37 -177.39 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.517 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.14 127.73 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.229 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 115.97 -28.17 7.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.565 HG21 HG13 ' A' ' 66' ' ' VAL . 52.1 m -52.29 101.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' HG21 ' A' ' 23' ' ' THR . 53.2 mtm180 -88.27 149.05 24.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER 84.31 43.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 70' ' ' THR . 4.6 t -88.35 114.44 59.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.16 42.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.552 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -76.32 133.48 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.58 -12.38 66.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ILE . . . -74.88 108.26 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.567 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.7 mm -39.86 124.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 pt -97.38 -33.72 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 25.0 p -163.08 175.04 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 108.368 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.656 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -129.23 156.11 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 p -129.22 152.1 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.4 -172.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.57 -23.7 10.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.93 64.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HA ' HG13 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -23.31 13.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.13 -16.7 63.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -89.44 -33.73 16.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 60' ' ' TYR . 59.7 mt -46.23 -52.9 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -48.11 -33.56 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 88' ' ' ASP . . . -73.46 -34.43 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.377 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 5' ' ' SER . 22.7 m-85 -86.49 -13.25 46.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -49.54 -28.52 5.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -124.49 70.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -114.04 142.45 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.7 p -143.75 146.19 32.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.468 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.85 125.73 29.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.62 -40.76 63.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.97 90.71 3.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.053 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 t -157.51 107.37 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.29 163.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.22 -60.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 m 57.28 81.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.28 124.8 3.11 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 74.33 4.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -57.51 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 t -79.6 121.54 25.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -174.5 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 0.8 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -75.6 110.22 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.02 -151.72 23.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 50.26 88.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.608 0.828 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.43 119.47 23.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . -152.92 167.04 31.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.3 tt0 -143.96 123.15 12.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -79.3 141.0 37.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.7 t -111.97 96.93 36.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.04 9.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.001 HD23 ' O ' ' A' ' 74' ' ' PRO . 32.7 tp -42.11 101.45 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.97 131.25 14.12 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.659 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.9 p -65.69 108.58 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.03 22.76 4.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.6 170.03 8.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.511 1.795 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.4 p -92.54 33.46 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.475 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.0 ttt -71.93 115.83 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -108.37 -26.92 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.6 1.187 . . . . 0.0 110.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.15 147.24 6.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.067 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.87 -179.71 16.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 71' ' ' ARG . 4.1 m -131.0 125.52 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.666 HG21 ' NE1' ' A' ' 27' ' ' TRP . 48.5 mm -64.77 91.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -54.25 -63.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 152.51 30.73 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 65.6 m95 -99.23 85.02 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -42.34 -29.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -117.27 151.06 37.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -176.83 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.95 124.14 22.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.594 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 98.01 -28.27 15.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 134.16 55.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 2.7 tttm -75.98 136.49 40.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.3 117.28 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.36 143.34 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -40.67 123.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.31 -29.71 10.88 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.5 119.74 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 53' ' ' PHE . 50.5 tp -49.8 134.36 20.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 55' ' ' SER . 76.0 mt -98.89 -42.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.736 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -174.6 159.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 33.6 mt-10 -105.63 146.97 28.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.222 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.1 t -128.42 136.61 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.57 118.09 30.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -119.74 163.93 16.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -23.16 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.673 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.28 -49.13 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 164.33 -174.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.1 m -77.19 111.81 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.49 165.95 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.01 113.34 2.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 40' ' ' LEU . 13.9 t80 -83.62 113.56 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -94.48 168.65 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.466 ' CB ' HD11 ' A' ' 41' ' ' ILE . 23.1 t -89.28 152.9 21.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -97.37 -24.5 15.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -144.13 -177.19 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.51 118.46 33.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.97 -176.65 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE1' ' HD2' ' A' ' 34' ' ' LYS . 22.0 m-85 -121.5 148.88 43.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.411 ' SD ' HD11 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -61.5 98.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.702 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -68.02 -69.64 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ILE . 35.5 tptt -145.58 145.63 31.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 64' ' ' ILE . 52.4 mt -110.48 76.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.081 HD13 HD11 ' A' ' 97' ' ' LEU . 42.6 mt -44.38 -60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 70' ' ' THR . 3.8 t -93.83 120.23 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -175.6 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.558 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -84.66 131.12 34.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.72 -25.31 13.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.531 1.145 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.628 HG21 HG13 ' A' ' 66' ' ' VAL . 22.4 m -55.2 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 13.8 mtm-85 -92.48 149.22 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.5 t70 87.23 35.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG12 HD22 ' A' ' 12' ' ' LEU . 3.1 t -87.75 115.66 63.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 1.001 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -75.08 164.76 32.58 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.8 mm -79.86 132.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.07 -14.88 63.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.12 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.6 108.33 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.529 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.1 mm -39.88 125.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.418 HG23 ' HB2' ' A' ' 12' ' ' LEU . 13.1 pt -102.43 -27.55 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 p -168.7 174.97 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 108.227 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -126.69 156.29 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' GLN . 70.4 p -134.71 137.16 43.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.702 HG13 ' HB2' ' A' ' 62' ' ' ALA . 30.5 m -111.01 172.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.55 -21.35 34.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.576 1.173 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.58 155.28 79.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.781 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -12.45 21.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.42 -20.95 49.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.23 3.31 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.594 HD13 ' HA2' ' A' ' 32' ' ' GLY . 72.9 mt -73.89 -37.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -73.08 -29.61 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.65 68.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.2 m-85 -101.44 -12.84 18.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -43.79 -28.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 92' ' ' PHE . 3.3 p30 -126.66 74.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -115.91 144.25 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 p -146.86 157.1 43.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.081 HD11 HD13 ' A' ' 65' ' ' LEU . 8.1 mp -87.25 71.3 10.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.057 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -147.29 94.94 2.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.34 89.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.52 138.36 52.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -161.08 138.33 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -161.62 88.85 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.5 p -120.2 166.83 12.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.66 97.78 0.16 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.097 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 168.2 25.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.819 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 t 67.31 151.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.3 p -48.48 163.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -44.68 -58.27 3.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 0.741 . . . . 0.0 110.04 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -88.29 89.48 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.055 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.58 -104.16 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.596 1.185 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 p -122.46 142.78 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -107.57 103.51 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.567 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -136.16 -171.79 12.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.8 tt0 -137.61 126.73 24.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 0.704 . . . . 0.0 110.237 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -78.02 137.35 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.4 t -113.36 95.17 34.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.61 13.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.588 HD22 HG12 ' A' ' 73' ' ' VAL . 40.9 tp -47.12 104.84 0.43 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.91 30.74 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.2 p -64.39 109.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 mt -95.9 13.87 25.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -157.3 167.64 14.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.058 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.98 -59.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -94.17 32.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.545 ' HG2' HD13 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -72.02 130.98 42.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -119.29 -34.53 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.2 148.23 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.56 -171.79 13.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.561 1.163 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.56 HG21 ' HG2' ' A' ' 71' ' ' ARG . 14.6 m -139.94 137.33 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' A' ' 68' ' ' GLU . 39.1 mm -73.27 95.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -56.42 -62.72 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -157.31 144.85 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 60.4 m95 -88.32 83.61 6.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.044 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -39.61 -33.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -111.33 174.28 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -132.56 177.21 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.68 129.39 38.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.451 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 81.72 38.19 14.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.16 169.16 9.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' CE ' ' OE2' ' A' ' 58' ' ' GLU . 1.6 tttm -103.17 136.42 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.408 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 7.2 mt -124.27 133.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 4.0 m120 -119.25 136.87 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -38.06 118.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.89 6.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.11 137.05 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 53' ' ' PHE . 39.7 tp -67.12 117.78 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.5 mt -83.71 -37.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -179.19 164.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 14.7 mt-10 -108.3 144.89 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.15 133.46 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.523 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.3 mt-10 -92.75 119.34 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.411 ' H ' ' HG1' ' A' ' 46' ' ' THR . 13.3 p -121.53 165.87 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -22.04 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.65 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.02 -51.46 8.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.93 -174.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.523 HG23 ' HG3' ' A' ' 45' ' ' GLU . 10.1 m -76.9 111.77 12.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.19 164.36 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.26 107.47 1.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.493 ' O ' HD12 ' A' ' 40' ' ' LEU . 27.3 t80 -76.38 114.3 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.72 164.88 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -86.21 156.72 20.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.25 -19.68 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' OE2' ' CE ' ' A' ' 34' ' ' LYS . 14.8 tt0 -102.12 107.22 18.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p -151.68 -173.28 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.348 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -120.07 152.84 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.18 126.16 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.501 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -94.57 -62.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -147.16 147.08 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 64' ' ' ILE . 55.2 mt -112.87 75.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.926 HD13 HD11 ' A' ' 97' ' ' LEU . 62.6 mt -45.35 -58.67 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.617 HG13 HG21 ' A' ' 70' ' ' THR . 2.2 t -97.13 122.09 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.61 -172.22 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.504 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -87.71 132.79 34.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 107.5 -23.82 25.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.617 HG21 HG13 ' A' ' 66' ' ' VAL . 27.1 m -54.82 102.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.56 ' HG2' HG21 ' A' ' 23' ' ' THR . 28.1 mtm105 -89.3 149.55 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 9.0 t0 84.17 44.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.588 HG12 HD22 ' A' ' 12' ' ' LEU . 34.6 t -90.21 114.27 60.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 156.34 43.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.545 HD13 ' HG2' ' A' ' 19' ' ' MET . 1.0 OUTLIER -74.34 140.06 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.79 -13.56 62.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.75 108.74 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.572 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.5 mm -40.32 126.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 pt -97.4 -29.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -169.98 174.83 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -128.62 156.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.4 p -127.6 153.48 46.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.9 m -127.73 -172.19 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.07 -27.38 3.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.88 157.26 72.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.394 0.702 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.539 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.16 -23.84 59.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -81.82 -4.58 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 98.6 mt -69.42 -58.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -28.21 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.251 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.22 -23.69 60.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.6 m-85 -104.18 -18.83 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -51.3 -22.44 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -127.76 74.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.239 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.31 138.69 53.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -135.84 164.98 26.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.926 HD11 HD13 ' A' ' 65' ' ' LEU . 5.6 mp -90.42 84.55 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 172.14 112.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.97 168.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.97 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 1.3 t 65.37 162.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.959 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 100' ' ' SER . . . 67.44 142.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -176.42 155.46 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.37 143.04 9.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.5 150.74 20.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 123.09 7.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.9 t -69.38 159.41 33.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.5 m -112.07 134.46 53.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.038 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.458 1.098 . . . . 0.0 110.977 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -75.73 -59.7 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.036 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.02 132.63 40.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.97 -119.41 2.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.31 154.23 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -103.49 85.4 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.87 -176.55 14.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.7 tt0 -143.62 121.81 12.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 0.799 . . . . 0.0 110.301 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -80.87 136.73 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.28 98.09 38.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 123.26 7.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.888 HD22 HG12 ' A' ' 73' ' ' VAL . 53.4 tp -41.19 100.89 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 132.87 16.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.714 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.7 p -67.54 109.13 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.2 25.34 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -154.5 172.0 6.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.993 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -62.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 p -98.11 40.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.473 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 5.2 ttt -80.54 118.61 22.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -109.76 -22.89 11.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.0 146.6 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.58 173.56 19.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.433 HG23 ' HG2' ' A' ' 71' ' ' ARG . 85.1 m -122.59 127.48 49.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.457 HG13 ' CG1' ' A' ' 66' ' ' VAL . 13.5 mm -71.65 88.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -47.83 -64.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 4.4 mpp_? -146.68 170.14 17.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 37.8 m95 -114.3 80.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.79 -35.23 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -113.97 167.59 10.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -133.88 179.09 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.48 121.0 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.28 49.73 4.58 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.98 124.43 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.799 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 2.3 tttm -62.51 137.64 58.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.423 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 4.6 mt -124.05 142.4 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.362 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -122.57 134.6 54.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.2 125.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.4 -18.98 56.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.75 126.44 29.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.02 115.9 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mt -80.24 -46.99 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.587 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -165.97 164.35 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.267 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 14.8 mt-10 -108.44 137.63 46.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.0 t -119.14 130.54 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -91.28 117.18 29.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 46' ' ' THR . 19.1 p -118.47 166.81 12.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.26 -21.15 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -82.67 -51.54 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.94 -174.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.4 m -77.5 111.71 13.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -92.39 163.89 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.06 105.19 0.96 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -76.04 111.18 11.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 0.707 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.84 151.59 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -66.67 150.07 49.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -101.3 -18.04 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -144.3 178.66 7.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -101.13 98.62 9.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.218 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 p -146.4 -174.37 4.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.521 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.1 m-85 -120.87 157.1 30.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.2 tpp -65.78 112.88 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -82.7 -61.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.2 tptm -144.78 150.99 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 64' ' ' ILE . 20.7 mt -120.25 91.52 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD12 ' HB ' ' A' ' 78' ' ' ILE . 25.0 mt -61.09 -58.42 8.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 79' ' ' ILE . 20.5 t -80.49 122.63 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.49 -160.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -94.6 136.01 35.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.83 2.06 69.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.424 ' HB ' HG12 ' A' ' 66' ' ' VAL . 51.6 m -65.11 107.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -98.55 167.02 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.9 t70 81.81 28.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.888 HG12 HD22 ' A' ' 12' ' ' LEU . 8.7 t -87.88 113.44 54.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.862 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.0 161.35 38.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.7 mm -75.79 132.23 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.37 -21.23 47.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.11 110.21 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.519 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -40.54 129.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.573 ' HA ' HG23 ' A' ' 66' ' ' VAL . 27.3 pt -99.31 -42.1 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.3 p -158.85 169.12 25.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.4 mt -122.35 154.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -129.67 146.89 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 88' ' ' ASP . 3.2 m -124.37 -174.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.21 -8.26 27.5 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -149.73 157.57 38.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -26.18 11.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.93 -25.17 63.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.523 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -91.94 -23.59 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.521 HD11 ' HB2' ' A' ' 60' ' ' TYR . 44.5 mt -60.35 -37.5 74.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.85 -34.98 76.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.26 -31.32 62.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -88.8 -17.97 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -21.35 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -125.35 70.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -120.32 136.55 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.5 p -136.02 153.85 51.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.29 96.21 8.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -172.24 95.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 109.345 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.6 p -163.53 152.47 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.2 p -96.3 141.55 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.33 124.13 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.76 132.71 52.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.2 p -155.53 148.46 24.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.19 153.25 13.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 91.52 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.564 1.823 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.52 97.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -130.28 -58.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.058 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -162.6 160.08 25.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -111.09 132.82 53.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.15 99.64 1.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -178.95 146.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 p -111.61 102.2 10.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -130.17 179.06 17.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.493 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.9 tt0 -141.27 121.84 14.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -79.36 137.87 37.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 57.6 t -110.21 98.9 37.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.031 HD23 ' O ' ' A' ' 74' ' ' PRO . 14.3 tp -43.65 102.44 0.28 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 131.24 14.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 111.032 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.651 ' HB3' HG21 ' A' ' 75' ' ' ILE . 85.7 p -65.9 108.69 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -92.18 24.71 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.95 166.66 15.89 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.442 1.089 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 p -102.77 38.94 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.587 1.179 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.467 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 4.8 ttt -83.25 112.93 20.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -104.56 -25.02 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.05 145.21 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.22 -176.75 14.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.432 HG21 ' HG2' ' A' ' 71' ' ' ARG . 12.1 m -133.71 130.11 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 0.726 . . . . 0.0 110.41 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.665 HG21 ' NE1' ' A' ' 27' ' ' TRP . 41.8 mm -67.75 89.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.08 -63.62 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.52 157.5 39.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.665 ' NE1' HG21 ' A' ' 24' ' ' ILE . 63.9 m95 -104.7 78.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.076 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -39.03 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' TRP . 35.9 mmtt -111.61 164.76 12.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.243 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -129.55 179.54 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.09 126.44 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.522 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 88.1 5.27 76.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -88.23 132.17 34.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -69.77 135.84 50.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.04 104.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 30.1 m-80 -90.31 132.8 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -38.39 120.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 -42.8 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.3 153.69 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 53' ' ' PHE . 60.2 tp -80.48 128.62 33.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.3 mt -87.09 -44.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.553 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -174.81 167.82 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.42 160.3 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.6 t -140.3 135.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.349 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.75 125.42 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.9 p -125.96 173.9 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.51 -18.11 26.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 9.1 mptt -87.04 -57.04 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 174.22 -175.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -79.32 112.27 16.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.46 164.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.58 109.9 1.84 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.687 ' O ' HD12 ' A' ' 40' ' ' LEU . 9.1 t80 -79.95 112.06 16.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 0.71 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 167.53 12.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -90.7 135.7 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.5 mt -109.88 19.68 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -168.64 172.33 8.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.26 127.62 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 p 179.83 -173.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.751 ' HB2' HD11 ' A' ' 89' ' ' ILE . 2.5 m-85 -125.47 152.85 44.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.2 tpp -61.47 106.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.598 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -73.21 -63.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -150.16 148.44 28.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 64' ' ' ILE . 67.5 mt -112.61 75.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.0 mt -44.34 -60.21 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 70' ' ' THR . 3.2 t -93.81 116.11 34.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.56 -176.32 5.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -82.69 131.55 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 111.25 -28.01 10.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.615 HG21 HG13 ' A' ' 66' ' ' VAL . 52.2 m -53.42 101.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 0.719 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 22.5 mtp180 -90.97 151.22 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 84.82 38.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.546 HG12 HD22 ' A' ' 12' ' ' LEU . 3.7 t -90.37 114.08 59.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 1.031 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.67 32.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.651 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.5 mm -80.39 130.39 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.45 -18.66 53.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.05 109.09 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.525 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.2 mm -40.04 128.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.487 ' HA ' HG23 ' A' ' 66' ' ' VAL . 38.1 pt -102.74 -32.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.9 p -162.0 173.32 14.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.593 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -126.11 156.32 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 p -129.79 144.49 51.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -120.53 -172.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.07 -12.37 27.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.5 157.48 33.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.653 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -29.17 8.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.08 -21.82 47.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.61 -35.42 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.751 HD11 ' HB2' ' A' ' 60' ' ' TYR . 95.3 mt -41.06 -53.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -45.93 -50.29 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.8 75.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 22.8 m-85 -81.61 -9.51 59.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -32.17 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -118.58 71.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -116.08 148.59 40.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.0 p -145.37 146.38 31.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.1 143.53 33.87 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -145.34 -47.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.2 m 56.03 167.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.943 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m 66.94 123.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 63.95 84.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -165.03 140.87 5.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 m -89.61 145.54 25.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 110.063 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.38 160.53 9.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -51.62 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 m 48.03 93.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.81 -58.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.134 . . . . 0.0 110.932 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -160.74 92.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.804 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -74.7 118.43 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.97 90.2 0.13 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -149.82 149.48 30.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.025 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -138.17 76.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.944 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -127.41 -170.62 12.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 tt0 -144.04 124.18 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -80.28 135.93 36.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -110.93 98.09 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.88 124.18 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.961 HD23 ' O ' ' A' ' 74' ' ' PRO . 51.2 tp -40.07 100.16 0.21 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -75.04 131.7 14.53 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.624 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.8 p -65.49 107.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -91.39 22.38 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -152.27 171.34 6.77 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -63.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 110.977 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 p -93.69 34.44 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.481 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.5 ttt -72.7 112.25 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.76 -24.41 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.51 151.11 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.74 -175.21 13.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.495 HG21 ' HG2' ' A' ' 71' ' ' ARG . 6.1 m -136.0 130.51 33.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 110.447 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.652 HG21 ' NE1' ' A' ' 27' ' ' TRP . 37.8 mm -68.87 89.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -51.59 -64.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.65 157.51 43.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.694 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 50.3 m95 -105.56 80.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' TRP . 18.8 tp10 -37.92 -36.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 34' ' ' LYS . 27.8 mmtt -112.03 162.84 14.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -128.38 175.05 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.94 130.8 44.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.48 27.22 57.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.92 143.23 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 1.5 tttm -78.02 136.3 37.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 55' ' ' SER . 21.1 mt -124.17 140.64 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -126.98 137.58 53.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.05 121.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.81 -43.49 1.66 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -50.71 123.61 9.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 53' ' ' PHE . 60.8 tp -53.76 137.85 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 55' ' ' SER . 35.8 mt -102.35 -42.42 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.694 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -171.65 160.97 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 27.0 mt-10 -105.81 155.8 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.72 128.89 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.01 115.72 26.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.405 ' C ' ' N ' ' A' ' 48' ' ' LYS . 26.3 p -118.62 160.48 21.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 1.059 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.56 -25.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.634 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.5 mttt -78.01 -52.39 8.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.366 1.041 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 168.0 -174.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.8 m -76.77 112.93 13.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.56 164.95 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.88 105.97 0.8 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.585 1.178 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.847 ' O ' HD12 ' A' ' 40' ' ' LEU . 23.2 t80 -74.31 119.48 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 0.731 . . . . 0.0 111.051 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.88 162.18 14.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.439 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 12.6 t -76.26 145.06 39.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.21 -30.33 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -174.06 178.03 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -57.17 142.47 42.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.4 p 170.39 -174.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.903 ' HB2' HD11 ' A' ' 89' ' ' ILE . 3.9 m-85 -139.61 152.52 46.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.9 tpp -65.08 121.15 14.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.659 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -89.91 -62.53 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -147.61 148.07 30.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 64' ' ' ILE . 52.4 mt -113.91 76.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.923 HD13 HD11 ' A' ' 97' ' ' LEU . 57.3 mt -47.46 -58.22 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.556 HG13 HG21 ' A' ' 70' ' ' THR . 2.6 t -96.63 123.58 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.09 179.73 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.61 129.71 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 110.356 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 113.17 -29.59 7.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.056 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.556 HG21 HG13 ' A' ' 66' ' ' VAL . 71.6 m -51.32 102.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 44.4 mtp180 -91.83 151.31 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER 85.44 34.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.799 HG12 HD22 ' A' ' 12' ' ' LEU . 5.9 t -84.17 114.9 57.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.961 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.06 36.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.7 mm -79.63 130.84 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.28 -17.03 57.5 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.505 1.128 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.68 109.15 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.533 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.0 mm -40.3 126.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 47.0 pt -97.62 -33.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.0 p -166.18 174.71 8.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.296 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -127.21 156.74 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 58.9 p -132.87 160.91 35.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.659 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.4 m -131.11 -171.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.65 -14.58 17.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -142.71 158.53 59.61 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.576 0.81 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.3 21.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -76.93 -45.57 27.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.99 -21.1 65.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.903 HD11 ' HB2' ' A' ' 60' ' ' TYR . 16.8 mt -58.6 -49.98 80.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.63 -33.95 66.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.61 -17.35 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.0 m-85 -104.9 -14.21 15.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -54.37 -22.2 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -127.39 73.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -121.15 146.37 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 p -138.34 167.37 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.923 HD11 HD13 ' A' ' 65' ' ' LEU . 2.4 mp -94.42 -177.38 4.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 53.18 95.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.2 m 62.34 109.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -151.76 -58.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.12 -61.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.607 1.192 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 61.58 96.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.0 t -178.91 82.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.58 134.92 46.11 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.545 1.813 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.47 86.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.67 159.43 22.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.067 . . . . 0.0 109.95 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.76 167.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 0.814 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 p -139.89 122.35 16.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.94 89.65 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -162.16 121.44 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 110.019 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 t -116.95 100.33 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -132.56 -172.14 12.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 111.036 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -143.5 122.2 12.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -80.47 137.21 36.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG11 ' HE2' ' A' ' 53' ' ' PHE . 42.7 t -110.6 98.91 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.5 Cg_endo -74.94 123.82 8.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.978 HD23 ' O ' ' A' ' 74' ' ' PRO . 24.4 tp -40.22 100.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.51 12.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.579 1.831 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.622 ' HB3' HG21 ' A' ' 75' ' ' ILE . 80.5 p -63.27 108.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -92.06 23.68 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -155.03 169.48 10.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -61.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.6 p -91.79 31.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.48 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 1.9 ttt -71.21 111.79 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.3 -25.68 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.15 151.11 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.13 -175.19 13.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.563 HG21 ' HG2' ' A' ' 71' ' ' ARG . 16.4 m -135.71 131.79 36.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 0.767 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.623 HG22 ' HA ' ' A' ' 68' ' ' GLU . 50.8 mm -69.53 90.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -51.83 -63.46 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -156.9 159.09 37.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 74.8 m95 -105.08 84.7 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.883 ' HG3' HD23 ' A' ' 40' ' ' LEU . 1.3 mm-40 -39.35 -32.99 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -114.45 167.29 10.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.54 -178.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -72.17 126.61 30.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.756 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 93.56 -17.38 58.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.87 146.77 54.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.0 tttt -81.59 138.16 35.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 40.5 mt -123.3 120.92 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -108.46 141.47 40.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.27 124.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.94 -41.49 2.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.38 127.41 15.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 0.794 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.883 HD23 ' HG3' ' A' ' 28' ' ' GLU . 14.6 tp -58.04 134.16 56.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.6 mt -100.46 -35.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.654 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -177.56 169.31 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 54.5 mt-10 -116.62 143.06 46.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.67 134.55 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -95.56 113.66 25.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.5 p -116.43 162.41 17.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -26.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.661 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 16.6 tttt -76.53 -51.02 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 165.71 -174.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.5 m -76.83 113.63 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.26 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.541 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -122.85 114.35 2.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.598 ' O ' HD12 ' A' ' 40' ' ' LEU . 4.1 t80 -80.92 117.37 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.05 153.32 19.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.258 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.401 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 27.4 t -66.22 158.04 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.085 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -97.9 -20.6 17.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -179.97 175.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.7 135.72 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.6 p 179.9 -170.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.81 ' CB ' HD11 ' A' ' 89' ' ' ILE . 4.5 m-85 -134.58 147.79 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.53 102.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.606 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -68.37 -68.84 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -147.97 150.6 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 64' ' ' ILE . 67.3 mt -115.01 75.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.193 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 97' ' ' LEU . 48.6 mt -44.96 -59.83 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.701 HG13 HG21 ' A' ' 70' ' ' THR . 3.3 t -91.99 119.81 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.23 -177.29 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 24' ' ' ILE . 4.0 pm0 -83.63 133.77 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.88 -22.8 27.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.701 HG21 HG13 ' A' ' 66' ' ' VAL . 17.8 m -53.55 102.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 23' ' ' THR . 94.7 mtt180 -91.98 149.56 21.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 t0 82.26 40.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 12' ' ' LEU . 4.6 t -89.44 116.82 67.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.978 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.7 Cg_endo -74.95 161.63 38.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.1 mm -77.62 134.94 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.31 -20.69 49.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.04 109.22 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.488 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.7 mm -40.45 126.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 12' ' ' LEU . 27.9 pt -99.71 -29.02 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 30.9 p -168.97 173.79 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.246 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.606 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -125.29 156.47 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 p -128.35 153.05 47.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.453 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -131.78 176.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.94 -1.56 48.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 14.2 pttm -160.91 157.63 23.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.591 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -31.29 6.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.11 -25.39 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.29 -37.78 16.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.81 HD11 ' CB ' ' A' ' 60' ' ' TYR . 95.8 mt -42.63 -51.97 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.22 72.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 12.6 m-85 -86.5 -8.47 57.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.8 OUTLIER -58.69 -36.32 74.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -113.01 70.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.4 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -115.74 143.25 45.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.5 p -144.62 143.26 30.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.577 ' CD1' HD13 ' A' ' 65' ' ' LEU . 2.0 mp -79.39 67.06 5.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -135.95 92.83 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.58 148.92 7.94 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 m -138.93 103.7 4.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.96 94.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.86 94.47 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.37 107.59 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.1 97.71 1.92 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 60.65 5.46 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t -56.2 141.61 40.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.0 p -96.89 -57.73 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.096 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t 179.47 112.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.57 98.34 7.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.926 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.88 -179.92 18.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.577 1.173 . . . . 0.0 111.009 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.86 -65.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m 64.36 61.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -124.09 -169.17 13.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.4 tt0 -142.69 122.19 13.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -79.88 138.57 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.8 t -112.4 96.35 35.44 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 126.71 10.13 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 74' ' ' PRO . 57.7 tp -42.86 102.06 0.26 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CG ' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.06 132.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.655 ' HB3' HG21 ' A' ' 75' ' ' ILE . 84.1 p -66.68 108.79 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.87 23.67 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -158.29 166.47 16.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -55.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.3 p -95.8 32.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.462 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.9 ttt -78.14 110.46 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -102.45 -25.3 13.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.61 149.39 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.65 -179.56 16.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.501 HG21 ' HG2' ' A' ' 71' ' ' ARG . 3.3 m -134.83 123.66 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.54 103.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.53 -60.69 2.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' HA ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -147.32 155.21 41.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 10.7 m95 -97.25 78.22 2.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -33.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -120.79 159.99 24.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -127.97 174.64 9.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.49 125.21 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.0 42.48 8.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.16 130.85 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.1 tttm -69.27 137.34 53.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 10.9 mt -124.39 147.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -127.25 134.16 50.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.89 121.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.74 -40.91 2.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.89 138.08 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 53' ' ' PHE . 61.9 tp -62.99 136.94 58.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 55' ' ' SER . 15.3 mt -103.93 -39.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.579 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -172.33 153.67 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HD21 ' A' ' 40' ' ' LEU . 6.2 mt-10 -105.07 141.56 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.9 t -124.07 145.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.78 117.86 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.41 ' H ' ' HG1' ' A' ' 46' ' ' THR . 13.6 p -114.42 169.02 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.322 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -56.63 -18.52 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.645 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -85.98 -49.8 7.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 167.26 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.9 m -77.12 113.9 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.512 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.92 165.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.21 110.49 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.74 ' O ' HD12 ' A' ' 40' ' ' LEU . 25.5 t80 -80.47 115.72 20.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -92.03 161.4 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' ' 41' ' ' ILE . 38.6 t -71.91 150.15 44.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.97 -14.04 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.397 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -176.65 168.16 2.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.03 129.85 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.406 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -176.1 176.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 108.355 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -121.82 147.54 45.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -61.39 117.62 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.736 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -86.11 -54.25 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 9.3 tptt -154.33 149.48 26.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.527 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 72.8 mt -116.45 84.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.049 HD13 HD11 ' A' ' 97' ' ' LEU . 41.0 mt -51.58 -57.47 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.078 HG13 HG21 ' A' ' 70' ' ' THR . 12.3 t -83.83 132.55 31.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.41 -157.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 26' ' ' ARG . 3.0 mt-10 -100.34 134.25 43.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 -0.28 84.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 1.078 HG21 HG13 ' A' ' 66' ' ' VAL . 39.5 m -56.28 102.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 8.6 mtm180 -93.3 148.14 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.9 t0 83.96 40.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.775 HG12 HD22 ' A' ' 12' ' ' LEU . 3.3 t -91.48 114.11 60.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.851 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 163.97 34.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.655 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.9 mm -79.75 131.72 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.34 -15.04 62.85 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.38 109.51 4.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.566 ' HB ' HD12 ' A' ' 65' ' ' LEU . 3.8 mm -41.4 128.19 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.55 ' HA ' HG23 ' A' ' 66' ' ' VAL . 39.8 pt -101.03 -30.62 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.8 p -170.2 172.67 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 108.31 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.3 mt -124.1 155.32 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLN . 77.1 p -131.6 150.95 51.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.736 HG13 ' HB2' ' A' ' 62' ' ' ALA . 15.7 m -130.26 -171.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.87 -25.14 5.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 153.94 78.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -15.6 20.68 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.92 -36.05 64.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -70.83 -18.33 62.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' LYS . 43.4 mt -64.65 -53.63 39.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -49.59 -31.11 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.94 -33.02 63.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.5 m-85 -87.52 -19.71 27.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -46.25 -30.47 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -119.9 71.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -118.34 156.82 28.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 p -145.59 167.49 22.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.462 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.049 HD11 HD13 ' A' ' 65' ' ' LEU . 4.7 mp -92.12 79.06 5.17 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -148.17 133.18 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.0 m -107.63 -54.23 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.5 m -165.87 144.07 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.0 -61.87 2.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.3 -60.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -170.24 -58.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 51.4 -145.48 12.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.404 1.065 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 158.77 42.32 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t 178.71 104.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -58.48 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -54.63 133.83 46.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t 50.25 93.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.81 95.55 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t 58.74 91.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 p -114.85 117.39 30.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.063 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -133.39 174.72 20.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -127.57 124.12 37.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HG2' HG21 ' A' ' 78' ' ' ILE . 19.4 mttt -75.44 140.37 42.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 43.3 t -111.19 98.02 37.67 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.4 8.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 74' ' ' PRO . 42.5 tp -42.64 101.76 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.572 1.827 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.647 ' HB3' HG21 ' A' ' 75' ' ' ILE . 86.3 p -64.72 107.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 mt -91.83 22.42 4.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -152.34 171.0 7.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.982 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -63.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 p -93.06 35.0 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.477 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.4 ttt -74.86 112.87 11.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -107.39 -22.02 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.43 152.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.77 -177.11 14.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.498 HG21 ' HG2' ' A' ' 71' ' ' ARG . 8.1 m -132.72 131.84 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.572 HG22 ' HA ' ' A' ' 68' ' ' GLU . 31.1 mm -68.94 86.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -48.65 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.382 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.66 157.38 35.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.63 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 71.6 m95 -102.62 81.6 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' TRP . 3.2 tp10 -38.19 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.155 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' TRP . 18.8 mmtt -114.12 173.77 6.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -135.17 178.57 6.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.24 130.48 43.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.7 24.05 63.29 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.83 129.63 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.418 0.716 . . . . 0.0 109.395 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -64.65 133.8 52.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.444 HG21 HG12 ' A' ' 41' ' ' ILE . 7.9 mt -123.94 104.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -87.8 145.85 25.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.087 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 121.78 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.3 -31.27 8.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -56.59 126.29 26.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.362 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 53' ' ' PHE . 26.9 tp -56.17 126.39 25.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.401 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.444 HG12 HG21 ' A' ' 35' ' ' ILE . 59.9 mt -90.97 -44.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 109.214 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.63 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -173.67 164.22 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 11.5 mt-10 -110.43 140.95 44.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -120.44 138.12 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 50' ' ' THR . 2.4 mt-10 -98.2 112.09 24.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.9 p -114.07 165.33 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -50.07 -24.3 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 7.7 tttp -79.18 -54.28 6.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 169.84 -175.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.225 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 45' ' ' GLU . 12.6 m -77.27 108.96 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.02 160.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.87 113.15 2.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 40' ' ' LEU . 8.4 t80 -81.17 113.33 19.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.27 154.16 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.354 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.432 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 17.2 t -78.86 135.35 37.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -109.51 21.38 17.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.7 169.68 14.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.28 109.27 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -163.0 -173.19 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.326 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.718 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.4 m-85 -124.24 157.03 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.402 ' O ' HD13 ' A' ' 89' ' ' ILE . 54.2 tpp -65.29 110.57 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.989 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -75.8 -58.99 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -153.3 148.73 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.659 HG22 ' O ' ' A' ' 64' ' ' ILE . 42.1 mt -112.08 78.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD13 HD11 ' A' ' 97' ' ' LEU . 39.9 mt -46.31 -59.81 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG13 HG21 ' A' ' 70' ' ' THR . 4.4 t -95.29 121.52 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.82 -173.23 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.572 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -88.5 132.91 34.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.33 -20.63 30.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.536 HG21 HG13 ' A' ' 66' ' ' VAL . 82.3 m -59.42 104.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 2.7 mtt-85 -93.19 155.03 17.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER 84.38 30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.679 HG12 HD22 ' A' ' 12' ' ' LEU . 5.5 t -82.54 114.38 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.835 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -74.96 163.34 35.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.647 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.6 mm -79.92 130.98 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.97 -16.39 58.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.29 115.15 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.349 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.588 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.4 mm -47.2 124.61 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.8 pt -97.86 -37.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.24 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.9 p -158.58 171.9 19.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 108.305 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.495 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -123.68 156.83 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLN . 62.3 p -131.51 150.36 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.431 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.989 HG13 ' HB2' ' A' ' 62' ' ' ALA . 22.3 m -126.96 -168.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.67 -12.64 14.24 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.411 ' O ' HG21 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -145.76 153.1 50.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.25 21.54 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -75.49 -38.73 59.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -72.13 -16.52 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.718 HD11 ' HB2' ' A' ' 60' ' ' TYR . 18.4 mt -65.09 -51.17 69.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -46.18 -41.95 13.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.54 80.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 2.9 m-85 -81.23 -20.32 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ILE . 1.6 tttm -43.92 -36.97 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.208 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -116.58 68.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -112.2 139.6 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.9 p -140.4 141.58 35.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 65' ' ' LEU . 7.2 mp -76.31 139.72 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -161.69 -53.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.1 p -145.54 171.51 14.57 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.61 80.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -104.59 63.6 0.73 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.89 111.08 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.73 109.24 18.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.75 -165.51 10.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.27 4.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.5 t -80.32 108.83 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.59 159.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.93 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.6 1.187 . . . . 0.0 111.007 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.91 118.38 26.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 0.799 . . . . 0.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.36 -52.95 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.62 -69.15 2.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.12 108.91 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 110.04 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -69.61 80.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -137.56 175.62 21.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.2 tt0 -133.91 124.3 26.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 0.793 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -81.71 140.8 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -112.09 96.81 36.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.417 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.1 Cg_endo -74.95 122.44 7.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.002 HD23 ' O ' ' A' ' 74' ' ' PRO . 28.0 tp -40.62 100.5 0.22 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 131.37 14.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.602 ' HB3' HG21 ' A' ' 75' ' ' ILE . 84.7 p -64.27 108.26 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 110.049 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.46 23.76 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -154.2 170.9 7.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -96.65 37.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.2 ttt -77.36 109.92 11.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -25.31 13.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.27 149.23 7.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -133.81 -171.62 12.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.567 HG21 ' HG2' ' A' ' 71' ' ' ARG . 15.3 m -138.76 131.86 29.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.452 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 68' ' ' GLU . 48.5 mm -68.76 92.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 43' ' ' GLU . . . -53.88 -63.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -150.57 162.29 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.791 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 42.7 m95 -110.17 81.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.047 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -42.82 -28.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -117.57 154.33 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.47 175.62 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.59 129.27 39.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.542 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 81.62 29.86 38.12 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.38 1.05 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.34 140.75 46.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.45 134.11 37.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.376 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.559 HD13 HG12 ' A' ' 41' ' ' ILE . 61.2 mt -122.27 138.21 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.05 142.61 47.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.6 119.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.4 ' O ' ' CD ' ' A' ' 54' ' ' GLU . . . 101.28 -43.01 1.8 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.56 121.36 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.801 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 53' ' ' PHE . 47.3 tp -50.55 134.73 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.559 HG12 HD13 ' A' ' 35' ' ' ILE . 53.2 mt -103.74 -38.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.611 1.194 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.791 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -176.19 163.03 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 57.7 mt-10 -107.9 164.89 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -143.51 135.62 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -93.91 118.81 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HG1' ' A' ' 46' ' ' THR . 14.2 p -120.13 169.36 10.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.45 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -19.45 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.652 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -86.07 -50.35 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 166.38 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -77.1 114.4 15.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.69 166.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.62 112.12 1.9 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' O ' HD12 ' A' ' 40' ' ' LEU . 15.5 t80 -82.4 116.57 21.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 0.804 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' GLY . 29.1 mt-10 -92.66 167.21 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.437 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 23.2 t -81.95 154.03 25.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.1 -24.35 16.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.42 -173.23 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -89.14 133.15 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.3 p 179.35 -171.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.941 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.4 m-85 -127.62 159.93 33.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.0 tpp -68.65 111.07 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB3' ' C ' ' A' ' 81' ' ' ILE . . . -75.22 -58.4 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' ILE . 52.0 tptt -155.82 144.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.659 HG22 ' O ' ' A' ' 64' ' ' ILE . 54.3 mt -109.91 76.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.734 HD13 HD11 ' A' ' 97' ' ' LEU . 54.3 mt -46.43 -59.2 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.664 HG13 HG21 ' A' ' 70' ' ' THR . 3.1 t -94.44 120.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.5 -174.89 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.583 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.28 132.23 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.342 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 108.21 -22.67 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.664 HG21 HG13 ' A' ' 66' ' ' VAL . 54.5 m -54.92 102.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 0.797 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HG2' HG21 ' A' ' 23' ' ' THR . 76.1 mtm180 -88.65 155.02 19.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER 77.47 44.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.888 HG12 HD22 ' A' ' 12' ' ' LEU . 11.5 t -91.89 114.35 61.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 1.002 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 162.02 37.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.4 mm -79.96 130.42 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.06 -16.01 58.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.74 107.84 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.364 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.508 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.5 mm -40.81 122.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 23.5 pt -94.19 -35.47 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 p -161.07 176.32 11.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.265 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.655 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.4 mt -130.0 155.06 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p -127.74 158.54 37.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.32 -173.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.19 -17.53 13.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.11 158.08 45.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -21.77 15.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.64 -25.23 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.28 -33.92 19.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.941 HD11 ' HB2' ' A' ' 60' ' ' TYR . 61.3 mt -44.13 -48.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.59 -46.11 66.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.15 75.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 16.6 m-85 -86.22 -6.96 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' ILE . 6.8 tttt -64.97 -12.69 52.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -136.08 71.23 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -120.65 120.2 35.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.2 p -115.66 156.85 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.734 HD11 HD13 ' A' ' 65' ' ' LEU . 4.0 mp -94.06 112.84 24.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 t70 176.76 -64.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t -156.86 110.74 2.67 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.9 p -51.97 179.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.937 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -158.63 97.18 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.97 113.11 17.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.5 p -129.21 118.82 22.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.924 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.65 97.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -43.06 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -136.72 -61.42 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -177.84 -57.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.17 156.17 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -65.26 -55.01 20.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.34 124.91 1.35 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 m -150.26 123.5 8.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 0.769 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -161.24 139.83 9.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.955 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' HA3' ' CE2' ' A' ' 92' ' ' PHE . . . -131.75 171.05 21.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.534 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.3 tt0 -120.21 128.35 53.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -82.4 138.19 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 43.6 t -110.63 98.94 39.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 126.15 9.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.83 HD23 ' O ' ' A' ' 74' ' ' PRO . 56.3 tp -43.11 102.16 0.27 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.02 132.62 15.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.633 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.8 p -66.4 108.85 2.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.4 mt -92.13 24.34 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -156.4 168.84 11.56 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.596 1.185 . . . . 0.0 110.003 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -58.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 p -96.41 35.77 1.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.482 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 2.7 ttt -77.69 115.66 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -108.44 -23.3 11.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -166.22 150.16 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.4 -179.31 16.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 ' HG2' ' A' ' 71' ' ' ARG . 4.9 m -131.49 130.53 42.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.642 HG22 ' HA ' ' A' ' 68' ' ' GLU . 37.2 mm -69.72 89.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.391 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.03 -64.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.11 153.79 32.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 110.219 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' NE1' HG21 ' A' ' 24' ' ' ILE . 68.3 m95 -99.12 79.9 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 108.052 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' TRP . 38.4 tp10 -38.31 -32.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' TRP . 39.0 mmtt -109.98 167.19 10.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.232 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -130.73 176.17 8.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.14 137.23 56.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.55 40.67 90.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.84 121.04 35.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 0.788 . . . . 0.0 109.368 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 5.0 tttt -58.14 137.66 56.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.937 HG23 ' CG ' ' A' ' 39' ' ' ASP . 8.1 mt -124.14 136.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -113.52 131.72 55.96 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 121.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 -34.3 5.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.937 ' CG ' HG23 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -49.95 162.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 53' ' ' PHE . 58.7 tp -90.93 114.16 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -76.67 -46.33 31.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.27 165.37 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -106.79 154.48 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.5 t -135.68 134.31 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.6 mt-10 -95.76 119.93 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 48' ' ' LYS . 54.1 p -121.54 165.48 15.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -77.57 -70.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.81 -174.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.482 HG23 ' HG3' ' A' ' 45' ' ' GLU . 6.7 m -76.66 113.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.08 165.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.91 106.67 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.482 ' O ' HD12 ' A' ' 40' ' ' LEU . 9.9 t80 -76.79 114.76 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 0.5 OUTLIER -93.07 163.05 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' GLU . 10.0 t -75.66 160.45 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.0 -18.64 13.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 55' ' ' SER . 5.9 pt-20 -162.57 171.16 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -82.67 112.85 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.7 p -156.22 -174.33 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 59' ' ' CYS . 2.4 m-85 -123.46 148.78 45.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 54.6 tpp -61.58 114.68 3.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.077 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.608 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -81.45 -63.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' ILE . 10.9 tptt -149.51 146.65 27.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 64' ' ' ILE . 29.1 mt -110.09 79.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.949 HD13 HD11 ' A' ' 97' ' ' LEU . 37.4 mt -47.91 -59.47 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.547 HG13 HG21 ' A' ' 70' ' ' THR . 3.8 t -94.83 122.32 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.27 -174.49 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -85.73 131.56 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.46 -22.3 26.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.422 1.076 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.547 HG21 HG13 ' A' ' 66' ' ' VAL . 99.8 m -57.56 103.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 85.8 mtm-85 -94.42 151.66 19.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 6.3 t0 87.27 31.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.698 HG12 HD22 ' A' ' 12' ' ' LEU . 4.2 t -84.41 115.35 60.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.83 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.98 164.15 33.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.441 1.758 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.633 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.4 mm -78.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.84 -20.11 50.51 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.426 1.078 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.04 110.16 2.83 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.3 mm -40.09 130.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 44.5 pt -102.17 -33.05 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -165.52 174.34 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.598 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.2 mt -127.71 155.7 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.8 p -130.36 156.03 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 62' ' ' ALA . 14.8 m -133.81 -172.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.4 1.063 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.42 -9.55 19.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.58 1.175 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.87 154.79 44.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.61 16.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.79 -33.36 73.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -78.41 -36.36 45.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 93' ' ' LYS . 49.2 mt -44.59 -53.68 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -56.07 -33.95 65.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.247 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.11 -19.48 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.0 m-85 -102.55 -12.27 17.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.89 -20.55 23.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -125.98 68.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -121.23 149.82 42.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -141.46 168.6 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.949 HD11 HD13 ' A' ' 65' ' ' LEU . 5.1 mp -92.32 115.87 28.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -161.25 -50.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.62 101.78 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.3 m -98.66 -56.18 2.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.22 155.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 63.7 95.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.4 p -114.44 -58.48 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 142.89 165.03 10.45 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.434 1.755 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.5 m -108.81 134.0 52.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.75 95.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.935 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -158.41 120.69 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.933 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.74 136.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.72 72.19 0.89 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 p -156.27 121.22 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 m -150.66 93.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.47 -168.01 12.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -135.44 122.76 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -78.16 141.9 38.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 40.7 t -112.71 96.08 35.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.9 122.93 7.56 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.968 HD23 ' O ' ' A' ' 74' ' ' PRO . 44.8 tp -40.01 99.79 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.0 131.62 14.5 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.76 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.652 ' HB3' HG21 ' A' ' 75' ' ' ILE . 83.4 p -65.63 108.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -92.24 23.69 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.476 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -153.51 170.84 7.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -63.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -93.27 35.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.476 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.5 ttt -73.34 115.31 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -108.24 -24.3 11.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.59 157.02 14.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.89 -178.71 17.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 71' ' ' ARG . 5.6 m -134.8 123.07 22.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.39 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.715 HG21 ' NE1' ' A' ' 27' ' ' TRP . 39.4 mm -63.43 93.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -63.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.69 148.86 19.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.715 ' NE1' HG21 ' A' ' 24' ' ' ILE . 82.4 m95 -95.48 89.36 5.38 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.481 ' CD ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -39.0 -44.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 27' ' ' TRP . 41.6 mmtt -96.82 179.32 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 61' ' ' MET . 7.7 mmtt -135.12 -175.96 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.84 125.78 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.644 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 84.06 12.12 77.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.78 135.03 34.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 1.4 tttm -68.7 137.79 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.435 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 50.4 mt -122.76 133.53 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.81 139.33 50.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.06 117.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.58 -44.37 1.52 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.419 1.075 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -44.27 134.63 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD23 ' CD ' ' A' ' 28' ' ' GLU . 35.6 tp -64.68 121.89 15.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.721 HD11 ' HA ' ' A' ' 55' ' ' SER . 62.8 mt -81.25 -46.94 20.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -175.61 156.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.45 141.96 30.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 51' ' ' VAL . 56.1 t -125.64 137.43 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.66 117.96 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.461 HG23 HG22 ' A' ' 51' ' ' VAL . 54.2 p -108.63 178.78 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -8.11 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 3.6 mmmt -98.47 -49.5 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 172.38 -174.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.1 m -76.48 119.99 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 44' ' ' VAL . 1.6 m -100.98 165.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' CA ' HD11 ' A' ' 40' ' ' LEU . . . -123.76 116.03 2.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HE2' HG11 ' A' ' 10' ' ' VAL . 6.1 t80 -85.09 113.69 21.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.69 152.85 18.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.721 ' HA ' HD11 ' A' ' 41' ' ' ILE . 32.9 t -71.96 150.43 44.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -98.49 -21.54 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -155.31 168.21 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 10.7 tt0 -83.27 108.33 16.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.9 p -146.28 -175.12 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' HB3' HD11 ' A' ' 89' ' ' ILE . 7.1 m-30 -118.95 147.42 44.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -62.82 99.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -67.91 -69.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.5 tptt -146.94 147.35 30.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 64' ' ' ILE . 62.9 mt -111.61 75.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' CG2' ' A' ' 78' ' ' ILE . 41.9 mt -43.81 -60.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.625 HG13 HG21 ' A' ' 70' ' ' THR . 4.1 t -91.17 118.48 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.84 -175.3 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.636 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -86.0 127.11 34.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . 116.14 -25.15 9.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.625 HG21 HG13 ' A' ' 66' ' ' VAL . 37.7 m -53.17 103.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 0.795 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.56 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 11.7 mtt180 -93.45 147.15 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 2.6 t70 86.51 36.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.668 HG12 HD22 ' A' ' 12' ' ' LEU . 4.1 t -86.43 116.14 64.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.968 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 161.26 39.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.574 1.829 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.652 HG21 ' HB3' ' A' ' 14' ' ' SER . 3.5 mm -75.6 136.04 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.67 -20.35 47.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 110.92 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.4 mm -40.88 127.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 12' ' ' LEU . 40.2 pt -102.4 -29.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.425 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 24.8 p -169.2 172.54 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.278 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.496 ' C ' ' HB3' ' A' ' 62' ' ' ALA . 1.3 mt -122.22 155.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.5 p -128.04 142.21 51.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 62' ' ' ALA . 7.8 m -124.54 -173.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -115.84 -15.44 7.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.557 1.161 . . . . 0.0 111.03 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -140.23 155.46 70.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.75 15.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.91 -21.98 66.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.44 -23.31 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.644 HD13 ' HA2' ' A' ' 32' ' ' GLY . 35.8 mt -60.31 -40.09 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.15 -33.54 74.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.05 -23.11 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.7 m-85 -96.54 -22.78 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.64 ' HE3' HG22 ' A' ' 89' ' ' ILE . 1.7 ttmt -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.59 76.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.423 ' C ' HG23 ' A' ' 96' ' ' THR . 80.1 t80 -117.39 153.52 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 95' ' ' TYR . 35.9 p -151.66 131.67 13.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 124.05 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.29 123.77 12.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.2 t -169.26 148.9 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.8 t -52.62 -58.34 7.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.92 -62.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.73 153.31 36.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -57.54 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.25 -145.84 4.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 t 54.8 88.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.07 -58.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.996 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.11 83.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.055 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -175.93 118.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.08 122.09 0.78 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.54 113.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.044 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -124.69 103.47 8.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 92' ' ' PHE . . . -147.25 -162.34 9.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -143.25 121.29 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.33 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -80.57 138.63 36.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' ILE . 97.2 t -111.22 98.47 39.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.97 9.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.752 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 74' ' ' PRO . 53.7 tp -40.93 100.72 0.23 Allowed Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.36 14.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.654 ' HB3' HG21 ' A' ' 75' ' ' ILE . 85.2 p -65.24 108.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -92.35 24.32 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -155.14 170.0 9.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -60.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.9 p -96.13 36.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.48 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.4 ttt -75.12 117.44 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -108.37 -27.21 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 73' ' ' VAL . . . -165.95 147.56 6.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.165 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.79 178.91 17.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 71' ' ' ARG . 3.5 m -128.37 128.04 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.76 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.642 HG21 ' NE1' ' A' ' 27' ' ' TRP . 41.6 mm -67.64 90.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.02 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.04 167.48 29.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.844 ' CE3' ' HB2' ' A' ' 42' ' ' ALA . 77.2 m95 -114.28 88.74 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 108.071 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.28 -32.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -118.23 154.43 32.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -112.09 -172.46 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 52.8 mt-10 -78.48 120.46 23.24 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.693 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . 94.93 3.89 61.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.66 130.89 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 35' ' ' ILE . 4.1 tttt -65.84 138.26 57.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.216 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.432 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 11.7 mt -123.62 132.04 72.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.44 133.29 54.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.88 122.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.413 1.071 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.17 -43.17 1.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -47.42 152.24 0.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 53' ' ' PHE . 41.0 tp -79.14 136.85 37.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.12 -44.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.844 ' HB2' ' CE3' ' A' ' 27' ' ' TRP . . . -167.59 161.85 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -109.4 148.76 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.3 t -128.6 130.68 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.168 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.97 115.85 27.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.418 ' C ' ' N ' ' A' ' 48' ' ' LYS . 35.4 p -117.69 158.66 24.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.12 -25.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.693 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -77.83 -48.03 17.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 163.6 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.388 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -76.76 114.84 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.89 166.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.28 113.22 1.97 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.632 ' O ' HD12 ' A' ' 40' ' ' LEU . 11.5 t80 -81.63 112.15 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.86 166.15 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -82.37 156.03 24.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.15 -20.27 13.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -154.01 161.02 42.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.17 124.35 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 1.3 p -171.83 -174.85 1.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 108.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.481 ' HB2' HD11 ' A' ' 89' ' ' ILE . 1.9 m-85 -124.56 155.94 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.5 tpp -69.49 120.39 15.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -85.52 -52.95 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' ILE . 14.7 tptt -157.79 144.86 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 64' ' ' ILE . 48.2 mt -110.26 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.1 mt -43.41 -60.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.686 HG13 HG21 ' A' ' 70' ' ' THR . 2.9 t -92.94 118.31 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.1 -179.07 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.506 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -78.25 139.21 38.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.35 -19.87 50.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.416 1.072 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.686 HG21 HG13 ' A' ' 66' ' ' VAL . 47.9 m -61.15 102.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 82.6 mtt180 -93.94 153.53 18.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 3.2 m-20 85.54 31.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.685 HG12 HD22 ' A' ' 12' ' ' LEU . 3.8 t -85.99 114.6 57.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.958 ' O ' HD23 ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.94 163.77 34.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.595 1.84 . . . . 0.0 111.052 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.654 HG21 ' HB3' ' A' ' 14' ' ' SER . 2.9 mm -77.82 131.42 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.63 -23.82 34.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.147 . . . . 0.0 111.057 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.4 110.47 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 78' ' ' ILE . 4.9 mm -40.3 129.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 12' ' ' LEU . 36.1 pt -101.35 -32.45 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.0 p -167.53 175.69 6.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 8' ' ' GLN . 1.2 mt -125.88 155.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.3 p -130.67 147.77 52.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.0 m -130.32 -172.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.19 -11.46 13.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -147.57 157.37 44.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.96 -26.21 11.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.41 -28.69 45.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.413 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -89.55 -28.85 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.693 HD13 ' HA2' ' A' ' 32' ' ' GLY . 51.4 mt -53.66 -41.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.73 -34.77 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.38 -31.3 65.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.523 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 9.0 m-85 -88.56 -22.75 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -49.97 -24.47 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -126.22 70.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -120.42 144.32 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.7 p -141.51 146.66 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -81.22 175.42 10.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 174.35 107.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.1 m -79.92 101.86 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -102.39 155.29 18.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.49 152.79 33.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 51.93 93.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.8 m -153.12 -59.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.08 98.31 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -36.79 2.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.551 1.816 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.78 137.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 t 55.76 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.402 1.064 . . . . 0.0 111.018 179.987 . . . . . . . . 0 0 . 1 stop_ save_