data_1tuz_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 1tuz _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 ' 9' ' ' SER . . . . . 0.531 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.531 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.04 -1.64 11.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -79.47 -47.74 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 2.0 t80 -65.94 -33.33 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -66.82 -51.22 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.574 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -54.17 -56.24 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.98 -40.45 95.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 4.8 tt0 -61.28 -61.04 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -56.93 -29.62 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -68.55 -54.14 18.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 4.0 ptp -72.68 -24.19 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 20' ' ' MET . 0.7 OUTLIER -51.81 -48.46 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -27.37 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -80.07 159.74 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 p -134.03 10.82 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -70.72 -177.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -135.31 142.56 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.34 -34.0 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 p -67.43 -22.92 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.1 -46.92 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.85 -29.97 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -54.7 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -34.66 71.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 4.3 mt -56.31 -43.7 79.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 21.7 m-85 -80.92 -13.27 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.71 -57.45 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -116.21 -32.71 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.19 -174.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -28.32 64.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.798 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.539 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -63.11 -11.37 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.9 -2.39 36.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -75.29 -17.32 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -121.4 37.59 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.2 t -122.47 135.68 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -104.29 81.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.09 -103.14 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.87 17.47 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.42 144.16 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.5 tt -119.05 151.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.53 -176.85 47.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -73.66 -52.98 11.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.9 -53.02 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.85 -30.81 53.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -64.85 -28.05 69.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.73 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -32.39 67.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 6.8 t80 -57.54 -52.59 64.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.523 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 2.5 mt -62.63 -23.64 67.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -59.55 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 51.2 mt -70.49 -46.8 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.3 t80 -44.23 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.498 HD23 ' CG ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -83.68 7.58 17.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 61' ' ' LEU . 6.8 pt-20 47.43 24.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 m -76.93 162.49 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -97.35 -6.0 35.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.36 116.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -96.17 148.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.99 18.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -67.05 -25.23 66.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 74' ' ' LEU . 3.9 tp -69.1 -41.43 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -32.94 65.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -47.61 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.97 -20.13 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.523 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 8.1 mt -70.56 -50.62 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 1.5 t80 -66.05 -41.7 90.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -54.88 -36.66 65.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -52.67 -53.57 45.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.13 133.3 35.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' OE1' ' CD2' ' A' ' 75' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.4 m -108.34 161.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 p -138.19 148.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.7 t -75.05 136.28 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -39.37 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -58.56 -32.43 68.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.08 -45.99 65.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.44 -35.26 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -26.74 68.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.2 t -77.14 -53.98 7.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.26 -44.9 76.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.12 -32.14 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -58.76 -26.05 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -44.57 68.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.02 -66.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.04 -0.16 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -48.47 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.459 ' OD2' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.06 -33.93 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.81 -44.12 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -59.5 -52.64 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.478 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.2 tp60 -50.51 -53.57 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.51 -49.84 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.458 ' HA ' ' CG ' ' A' ' 20' ' ' MET . 7.9 tt0 -59.44 -18.77 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 24.6 m-85 -69.72 -44.14 70.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.458 ' CG ' ' HA ' ' A' ' 17' ' ' GLN . 3.1 ppp? -68.69 -19.33 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 9.2 pt-20 -40.28 -47.26 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -85.06 -47.6 10.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 44.7 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 t -102.09 15.65 28.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -138.21 168.66 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -105.39 139.56 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.23 -26.47 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.2 m -81.87 -34.9 29.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -34.62 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG13 ' CE1' ' A' ' 56' ' ' PHE . 22.8 t -67.77 -45.18 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 56' ' ' PHE . 32.2 mt -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -20.89 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.526 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 2.2 mt -80.73 -32.42 35.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.412 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 16.6 m-85 -81.41 -14.16 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.38 -57.77 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.24 -32.18 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.77 170.09 3.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.05 -29.51 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.444 ' SD ' ' CD1' ' A' ' 59' ' ' ILE . 36.8 mmt -58.32 -15.16 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -78.93 -2.39 39.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HE3' ' CE2' ' A' ' 42' ' ' TYR . 1.6 pttt -67.12 -31.26 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.473 ' CE2' ' HE3' ' A' ' 41' ' ' LYS . 23.1 m-85 -108.11 33.95 3.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -117.84 130.97 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -101.81 81.09 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.4 -94.12 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.05 18.67 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.71 138.8 38.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.436 HG23 ' CD2' ' A' ' 96' ' ' LEU . 14.6 tt -116.02 157.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.18 -179.92 52.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' CD2' ' N ' ' A' ' 51' ' ' GLU . 2.9 t80 -69.0 -57.0 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' N ' ' CD2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -50.86 -44.93 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.267 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.83 -39.99 70.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -27.69 45.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.62 -32.09 73.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -75.12 -29.94 60.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 49.4 t80 -68.76 -48.08 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 74' ' ' LEU . 1.3 mt -59.58 -21.81 60.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 3.2 tttt -69.65 -59.48 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.444 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 11.5 mt -73.84 -47.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.593 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 3.5 t80 -40.38 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' CD1' HD23 ' A' ' 57' ' ' LEU . 1.9 mp -75.32 -21.32 58.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER 82.28 10.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.09 157.68 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.66 -7.86 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -175.2 117.46 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.31 147.54 33.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.94 22.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -66.74 -33.35 75.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -53.81 -47.08 71.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 2.3 tp -71.81 -46.7 57.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -23.67 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ARG . 9.8 tp -74.65 -49.2 22.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.19 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' CD1' HD22 ' A' ' 57' ' ' LEU . 6.0 mt -58.77 -50.99 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 79' ' ' GLU . 19.8 t80 -71.9 -43.16 65.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.98 -31.06 38.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -55.57 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.27 142.02 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 75' ' ' PHE . 13.8 pt-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.8 m -136.54 174.19 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 95' ' ' CYS . 6.2 p -145.01 153.57 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.432 ' N ' HG23 ' A' ' 94' ' ' VAL . 1.7 m -75.04 137.46 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 48' ' ' ILE . 1.1 mt -85.12 -57.95 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -49.26 -39.04 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -36.92 85.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.452 HG13 ' CE2' ' A' ' 103' ' ' PHE . 82.6 t -74.81 -34.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.41 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 2.4 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.56 -48.99 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 106' ' ' LEU . 1.8 t80 -53.07 -46.05 68.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.593 ' CD1' ' OH ' ' A' ' 60' ' ' TYR . 28.2 m-85 -67.65 -32.9 73.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.3 t -59.07 -41.13 87.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -37.59 67.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -52.59 -62.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.23 -50.6 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.7 -48.8 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -63.39 -57.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -54.37 -56.35 19.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -54.16 25.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.75 -59.32 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -49.9 -57.52 7.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.463 ' CE1' ' HG3' ' A' ' 15' ' ' GLN . 4.4 m-30 -54.42 -40.08 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 23' ' ' SER . 35.6 ttm -67.32 -45.46 76.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -53.19 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.79 -29.48 64.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.5 OUTLIER -83.64 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -146.48 18.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -98.05 169.35 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -105.17 142.78 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.85 -28.65 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 p -65.85 -22.71 66.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -42.19 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t -73.24 -32.71 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -53.88 50.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -33.28 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.4 mt -63.8 -36.77 85.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 6.1 m-85 -80.98 -13.59 58.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.95 -57.55 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -116.0 -32.46 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.62 -174.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.13 -34.52 77.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.57 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 34.1 mmt -57.53 -15.47 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.5 -2.7 30.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -30.23 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -113.61 38.04 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 t -123.38 139.77 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -101.91 100.35 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.83 -102.58 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.97 17.28 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.13 134.93 44.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -116.54 148.69 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.486 ' O ' ' CD1' ' A' ' 48' ' ' ILE . . . -88.34 -179.2 46.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -69.86 -27.42 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 0.794 . . . . 0.0 110.951 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -47.11 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.87 -34.12 86.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.048 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' N ' HD13 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -61.57 -28.31 69.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -55.15 -47.0 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -28.63 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.513 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 18.1 t80 -57.72 -48.87 78.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 4.5 mt -55.72 -22.0 21.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -69.37 -59.98 2.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.9 mt -72.11 -43.49 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -39.73 -72.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.21 -1.1 57.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER 67.52 7.98 5.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -54.57 162.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.13 -9.79 23.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.86 116.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -100.83 147.82 34.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.41 11.44 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.788 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -32.38 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -53.43 -46.31 69.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 2.5 tp -72.14 -46.19 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -26.01 55.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.93 -49.05 26.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.81 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 57' ' ' LEU . 4.2 mt -54.85 -44.72 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -72.67 -39.06 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -66.94 -26.1 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -62.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.2 m -143.51 171.86 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.2 155.11 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 138.67 42.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.38 -32.7 64.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -65.84 -32.75 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.27 -39.65 62.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 103' ' ' PHE . 45.7 t -74.77 -29.56 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -65.8 -22.39 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.17 -54.98 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 108.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -54.05 -45.15 71.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.44 ' CD2' HG13 ' A' ' 99' ' ' VAL . 2.5 m-85 -66.73 -30.5 70.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.6 t -63.8 -26.45 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -35.88 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -62.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -50.17 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.47 -41.42 55.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.62 -34.68 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -56.92 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.6 tp60 -51.71 -56.22 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.75 -42.74 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -58.08 -58.17 9.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -53.53 -57.92 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 8.9 m-85 -53.66 -41.27 66.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.6 ttm -69.5 -40.15 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -50.75 -34.52 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -41.07 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.88 143.24 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.5 p -135.86 11.26 3.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -81.4 -178.88 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -105.08 143.15 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.87 -26.51 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -34.8 73.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -76.07 -30.59 58.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 60' ' ' TYR . 67.4 t -71.93 -37.0 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.6 mt -70.9 -30.84 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -25.33 63.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 10.1 mt -73.88 -32.76 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 37.8 m-85 -81.39 -14.67 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.7 pt-20 -83.28 -47.52 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -129.44 -34.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -49.82 -178.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -36.29 77.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.572 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -58.65 -14.32 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.63 -2.65 27.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -77.24 -21.65 53.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -122.45 51.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.7 t -133.35 131.64 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -104.36 81.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.368 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.28 -98.15 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.47 11.4 9.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.36 134.63 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.458 ' CD1' ' HA3' ' A' ' 52' ' ' GLY . 19.8 tt -117.19 156.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -172.7 42.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CE2' ' NH1' ' A' ' 68' ' ' ARG . 7.9 t80 -62.76 -52.07 64.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.62 -39.38 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 48' ' ' ILE . . . -81.04 -38.84 14.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -65.41 -40.51 93.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.769 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -28.96 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.763 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 5.4 t80 -57.16 -45.25 83.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 1.1 mp -54.73 -22.35 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 45.5 tttt -68.62 -59.16 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.479 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 44.2 mt -73.03 -47.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.763 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 2.3 t80 -40.25 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -85.8 -10.73 54.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.8 mt-10 73.75 2.99 4.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 19' ' ' TYR . 1.5 m -50.74 152.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.17 -10.71 54.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.04 117.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -95.22 147.34 32.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 130.55 13.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.751 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.459 ' NH1' ' CE2' ' A' ' 50' ' ' TYR . 1.8 ttt-85 -62.34 -32.06 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -54.71 -44.74 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.58 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.418 HD22 ' CD2' ' A' ' 57' ' ' LEU . 2.5 tp -68.02 -46.55 70.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -27.04 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.02 -49.1 39.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.88 -31.48 68.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 7.0 mt -61.31 -40.9 95.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -74.16 -42.03 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -52.0 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -89.3 169.23 11.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.38 171.19 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 p -148.68 154.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.4 m -74.96 134.93 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mt -82.0 -48.33 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -52.41 -39.44 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.17 -38.68 88.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.502 HG11 ' CE2' ' A' ' 103' ' ' PHE . 92.9 t -72.55 -37.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.9 t -71.45 -47.0 58.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -55.85 -48.84 74.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.679 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 14.6 m-85 -65.46 -37.15 86.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 t -59.02 -37.36 76.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -35.21 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -66.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.01 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -51.3 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' CD1' ' A' ' 70' ' ' LEU . 21.6 t70 -75.47 -34.97 60.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.14 -45.11 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.71 -40.61 69.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.642 ' NE2' ' CD1' ' A' ' 19' ' ' TYR . 3.6 tp60 -70.76 -49.7 43.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.415 ' CD1' HD13 ' A' ' 61' ' ' LEU . 5.4 tp -59.59 -43.37 93.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.54 -44.77 89.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -62.3 -43.27 99.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.642 ' CD1' ' NE2' ' A' ' 15' ' ' GLN . 2.2 m-85 -71.97 -55.32 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.28 -20.81 57.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 mm-40 -65.57 -46.04 80.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.61 -42.34 96.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 169.9 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.01 23.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -78.48 179.03 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -105.25 135.81 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.28 -24.1 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -22.7 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.38 -45.73 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -72.26 -31.89 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 7.2 pttp -58.47 -31.55 67.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.506 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 5.2 mt -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 14.1 m-85 -81.33 -13.72 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.47 -57.55 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.75 -32.45 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.02 -170.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.06 -32.75 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.572 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 29.6 mmt -56.24 -16.54 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -75.38 -2.77 30.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.53 -13.13 62.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -128.23 49.52 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.1 t -139.98 129.16 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.62 116.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 60.62 30.82 73.1 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 3.9 t70 82.52 -4.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.3 134.84 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 94' ' ' VAL . 9.9 tt -107.8 156.05 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.81 -174.24 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CD1' ' CG ' ' A' ' 75' ' ' PHE . 4.4 t80 -80.79 -34.03 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -44.88 67.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.45 -40.24 68.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.67 -26.59 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.01 -43.69 82.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.235 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 56' ' ' PHE . 1.5 pt20 -74.25 -22.93 59.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.241 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.475 ' CE1' ' CG ' ' A' ' 60' ' ' TYR . 19.9 t80 -68.28 -48.57 64.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 74' ' ' LEU . 3.8 mt -54.88 -23.43 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -66.57 -59.55 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.0 mp -72.61 -48.15 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.605 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 6.5 t80 -49.03 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' CB ' HG22 ' A' ' 63' ' ' VAL . 8.2 mt -71.0 -7.42 46.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.7 OUTLIER 66.01 9.9 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.438 HG22 ' CB ' ' A' ' 61' ' ' LEU . 1.8 m -71.48 149.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -91.14 -13.91 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -163.26 103.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.41 ' CG2' HG21 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -93.74 147.88 34.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.7 16.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 69' ' ' HIS . 4.5 ptt180 -63.35 -26.8 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.421 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 3.5 t-160 -59.04 -45.78 89.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.594 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 3.0 tp -72.01 -43.54 64.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -56.82 -41.44 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.38 -49.27 77.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.425 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . . . -67.62 -30.33 69.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD1' ' HG ' ' A' ' 70' ' ' LEU . 6.4 mt -67.41 -44.7 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 29.5 t80 -75.0 -53.87 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -52.63 -20.89 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 8.4 t -44.96 -50.75 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 77' ' ' SER . 2.9 m-85 -152.07 -175.29 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.74 175.3 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 95' ' ' CYS . 87.1 t -133.78 150.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.423 ' N ' HG12 ' A' ' 94' ' ' VAL . 38.9 t -75.69 137.74 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -50.99 6.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -52.85 -39.88 62.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.84 -54.52 46.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.645 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 68.4 t -61.77 -38.0 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.4 t -61.55 -23.24 65.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -41.48 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.423 ' CE2' HD11 ' A' ' 106' ' ' LEU . 44.4 t80 -64.16 -55.79 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.645 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 13.3 m-85 -58.61 -25.89 63.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.1 t -61.8 -40.74 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -30.39 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 102' ' ' TYR . 1.1 mp -58.42 -64.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.537 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -48.52 14.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -37.78 60.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.91 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -57.61 -57.33 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -54.99 -55.58 29.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.65 -41.85 70.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.86 -60.35 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -51.43 -59.01 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.429 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -51.41 -53.65 34.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 91.9 mtp -57.41 -47.71 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -44.85 -37.59 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.335 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -36.98 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.18 158.61 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -137.39 14.25 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -175.4 3.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -134.76 141.65 46.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.432 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 13.1 p -71.48 -31.25 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -63.3 -42.04 99.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.042 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.82 -38.78 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.2 t -59.85 -37.28 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD2' HD22 ' A' ' 96' ' ' LEU . 41.2 mt -60.72 -24.3 65.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -58.58 -25.52 62.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.619 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 3.1 mt -82.51 -27.66 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 39' ' ' MET . 30.4 m-85 -76.68 -11.49 59.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 10.9 pt-20 -103.33 -45.29 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -114.97 -33.02 5.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.619 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -62.78 155.28 41.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.45 -22.47 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.567 ' HG2' ' CE1' ' A' ' 34' ' ' PHE . 16.1 tpp -62.12 -12.07 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.28 -2.37 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -73.95 -30.4 62.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -105.07 33.24 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.3 t -125.53 128.6 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -97.27 95.99 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 -95.99 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -122.22 22.1 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.19 178.09 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.423 ' CD1' ' HA3' ' A' ' 52' ' ' GLY . 15.1 tt -145.31 152.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.07 -175.43 50.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -70.89 -40.11 72.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.07 -17.34 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.423 ' HA3' ' CD1' ' A' ' 48' ' ' ILE . . . -74.82 -24.0 73.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -69.79 -51.65 32.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -75.22 -24.0 57.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.67 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 3.3 t80 -75.45 -46.08 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.575 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -54.59 -21.89 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 7.7 tttm -68.42 -59.45 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.41 ' CD1' ' HE3' ' A' ' 39' ' ' MET . 19.3 mt -73.85 -45.33 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.67 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 3.9 t80 -39.69 -64.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -91.12 -7.69 50.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.53 4.02 4.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 1.1 m -51.12 158.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 12.1 t70 -96.68 -9.2 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.43 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -170.57 116.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -101.88 147.9 34.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.24 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -30.56 64.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -53.09 -51.1 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.09 -46.47 64.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -56.39 -26.36 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.84 -49.07 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.27 -34.48 68.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.575 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 4.8 mt -56.18 -41.66 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.47 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . 21.2 t80 -71.68 -36.54 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.19 -41.03 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -45.63 -63.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -120.34 129.72 54.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HG3' ' CE1' ' A' ' 75' ' ' PHE . 4.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 m -107.38 139.14 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -121.11 133.42 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.4 t -64.24 130.14 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.466 HD22 ' CD2' ' A' ' 31' ' ' LEU . 3.9 mt -70.04 -44.21 69.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -50.19 -34.12 21.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.472 ' OD1' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -70.32 -37.94 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.41 -38.69 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 104' ' ' SER . 12.0 t -56.11 -23.6 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 109.982 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.7 -51.79 10.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -53.12 -54.99 27.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.466 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.48 -33.07 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 100' ' ' SER . 2.2 t -59.02 -29.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.7 -41.82 59.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.12 -57.74 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -50.93 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.1 -35.03 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -72.01 -36.37 69.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -69.77 -38.78 76.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.596 ' OE1' ' CD2' ' A' ' 19' ' ' TYR . 2.7 tp-100 -63.46 -52.84 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -58.63 -48.55 80.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -63.94 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.03 -52.74 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.596 ' CD2' ' OE1' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -63.29 -51.5 65.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.423 ' N ' HD21 ' A' ' 61' ' ' LEU . 2.9 ppp? -61.61 -24.02 66.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -65.29 -53.87 37.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.49 -44.15 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.23 163.28 25.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -126.31 17.46 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -176.88 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -134.97 147.5 49.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.7 -30.99 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -75.96 -47.68 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.445 HG12 ' CE1' ' A' ' 56' ' ' PHE . 91.1 t -56.9 -35.24 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 13.2 mt -71.27 -37.13 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.6 -22.15 55.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.2 mt -77.69 -33.69 53.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.517 ' CG ' ' HB3' ' A' ' 39' ' ' MET . 7.3 m-85 -80.55 -13.83 58.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.34 -57.72 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 -32.45 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -50.8 -176.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.41 -29.36 67.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.517 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -56.83 -16.5 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.28 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 16.3 ptpt -67.89 -35.32 78.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 21.6 m-30 -110.4 41.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 44' ' ' GLN . 81.2 t -123.24 141.7 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' N ' HG13 ' A' ' 43' ' ' VAL . 17.0 mt-30 -113.64 80.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.69 -97.74 1.86 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -123.78 1.47 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.25 144.92 31.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CG1' HG12 ' A' ' 94' ' ' VAL . 11.4 pt -109.97 158.6 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 156.25 21.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -59.68 -36.52 76.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -72.54 -48.52 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.6 -39.08 65.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 74' ' ' LEU . 9.7 t80 -55.84 -26.85 48.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.05 -31.41 72.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -34.37 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 65.6 t80 -56.19 -43.49 78.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -59.96 -22.25 62.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -70.04 -59.49 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.52 -47.87 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 3.6 t80 -40.69 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -80.04 -4.17 51.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 65.77 10.51 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -62.56 160.6 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 11.2 t70 -102.32 -9.32 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -165.72 112.94 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -99.64 147.65 33.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.98 26.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -71.45 -29.36 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -56.56 -49.59 74.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.63 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 tp -71.65 -46.46 58.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -32.04 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.73 -48.9 57.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.465 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . . . -70.35 -27.02 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.516 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 6.2 mt -67.32 -30.07 69.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.455 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.3 t80 -74.35 -55.27 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.465 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 5.3 pt20 -62.55 -23.49 67.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 t -50.82 -28.07 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 98' ' ' ASP . 2.8 m-85 -143.71 162.8 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.7 m -108.03 173.57 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.464 HG12 ' CG1' ' A' ' 48' ' ' ILE . 2.5 p -148.03 152.22 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.95 137.41 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -50.7 49.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.25 -42.76 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.9 m-20 -58.18 -41.18 83.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.64 -35.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.415 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 22.7 t -68.81 -26.45 65.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -37.23 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -73.04 -48.86 32.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 5.3 m-85 -67.87 -26.1 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 t -64.82 -25.02 67.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.05 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.44 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -0.1 9.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -48.29 14.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -35.49 62.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -45.32 80.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.91 15.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.57 -53.9 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 20' ' ' MET . 5.3 tp -58.13 -41.73 84.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -56.69 -55.44 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -59.16 -59.02 6.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.467 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.8 m-85 -51.58 -53.6 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 27.1 mmm -52.92 -49.24 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -40.93 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -39.31 69.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -78.17 136.33 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -132.37 18.02 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -179.74 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -105.09 146.87 28.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.96 -34.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -65.45 -32.78 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.09 -40.46 68.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -72.34 -37.78 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 mt -66.94 -25.54 66.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -58.98 -25.77 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.1 mt -73.43 -31.95 64.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 56' ' ' PHE . 52.3 m-85 -80.83 -14.1 58.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.93 -57.57 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.02 -32.09 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.22 -172.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.35 -18.2 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.443 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . 34.7 mmm -71.74 -3.76 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.81 -2.5 43.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -15.98 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -110.84 26.69 10.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.9 t -112.39 136.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 47' ' ' ALA . 3.8 mt-30 -131.64 122.97 26.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' ALA . . . 41.8 69.21 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.76 24.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 44' ' ' GLN . . . -129.79 175.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' VAL . 9.1 tt -138.91 150.9 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.98 -170.98 29.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.75 -57.01 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -35.39 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.42 -28.82 59.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -52.71 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -31.49 71.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -74.63 -38.58 62.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 60' ' ' TYR . 1.6 t80 -56.88 -45.06 82.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.52 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -55.09 -22.38 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -59.47 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.7 mt -72.49 -46.76 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 28.0 t80 -46.41 -65.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 1.4 mp -85.67 8.91 17.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.1 28.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 61' ' ' LEU . 11.9 m -77.21 167.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.62 -5.52 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.3 117.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.29 147.6 34.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.59 8.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -32.92 70.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -43.64 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.557 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.43 -48.49 33.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -24.16 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.18 -49.14 20.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 77' ' ' SER . . . -72.82 -33.01 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.52 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 4.0 mt -53.19 -50.8 63.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -74.1 -41.26 61.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -24.48 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' ALA . 32.0 p -73.47 -35.92 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -88.21 -85.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.0 m -142.17 168.53 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ILE . 93.3 t -148.5 152.66 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 98' ' ' ASP . 36.5 t -75.41 133.91 41.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.77 -44.37 18.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -61.26 -33.82 74.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' CB ' ' HB3' ' A' ' 95' ' ' CYS . 12.6 t70 -68.31 -41.57 80.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.41 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 96.2 t -71.94 -28.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -71.66 -26.77 62.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.7 t -76.3 -48.1 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.49 -53.56 54.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.589 ' CD1' ' OH ' ' A' ' 60' ' ' TYR . 1.8 m-85 -58.9 -33.84 71.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 t -59.65 -37.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.35 -50.97 26.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.416 ' HB3' ' CE ' ' A' ' 20' ' ' MET . 0.7 OUTLIER -49.75 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.047 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.3 -50.15 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.61 -38.13 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 5.7 t80 -62.9 -36.16 82.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.49 -56.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.36 -56.42 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.54 -44.41 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 15.0 tt0 -61.7 -62.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -48.76 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.538 ' CD2' HG12 ' A' ' 63' ' ' VAL . 3.3 m-85 -64.46 -54.03 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.6 mtp -53.65 -49.65 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -24.43 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.64 140.26 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -120.51 15.85 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -94.05 -176.71 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -134.77 142.03 46.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.51 -33.69 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -65.48 -26.29 67.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -76.16 -48.12 21.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -67.29 -29.81 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -54.51 45.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 5.8 pttt -58.74 -28.48 65.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.5 mt -67.91 -38.24 82.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 0.8 OUTLIER -81.17 -13.46 58.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -84.94 -57.69 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -32.41 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.235 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.13 -175.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.58 -23.09 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.559 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -67.83 -7.01 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.69 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -111.82 37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.0 t -124.15 129.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' ALA . 11.0 mt-30 -118.9 123.65 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.29 44.93 52.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.92 19.34 11.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -124.87 174.44 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -137.59 149.2 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 48' ' ' ILE . . . -102.06 -177.64 27.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -69.93 -30.37 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.16 -55.58 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.52 -37.78 61.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CE2' HD11 ' A' ' 57' ' ' LEU . 38.8 t80 -57.08 -26.33 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 111.051 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.61 -43.32 89.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.514 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.36 -21.94 59.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.509 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 57.3 t80 -70.86 -45.77 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 53' ' ' PHE . 7.9 mt -60.35 -23.53 64.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 18.8 tttm -66.5 -60.07 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 55' ' ' GLN . 4.7 mp -73.24 -48.46 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 8.9 t80 -47.72 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 9.0 mt -76.37 -1.91 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.37 16.85 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.538 HG12 ' CD2' ' A' ' 19' ' ' TYR . 2.8 m -76.15 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.01 -11.12 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.26 115.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -98.37 147.38 33.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.3 22.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -29.97 68.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.01 -42.46 80.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 3.8 tp -73.57 -41.93 62.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -30.52 62.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.2 -47.31 51.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.88 -36.08 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.479 ' CD1' ' HG ' ' A' ' 70' ' ' LEU . 3.8 mt -52.84 -51.92 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -53.13 -24.23 9.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 t -63.56 -53.18 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.85 143.92 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.39 176.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.9 p -162.03 157.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.4 t -74.9 135.38 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -43.66 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.64 -32.94 70.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.89 -40.29 91.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.1 -32.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -73.6 -22.6 59.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.11 -47.24 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 108.261 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.423 ' CE1' HD22 ' A' ' 106' ' ' LEU . 1.8 t80 -61.88 -54.12 46.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.57 -33.94 70.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.9 t -59.11 -30.33 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.48 -36.02 63.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.423 HD22 ' CE1' ' A' ' 102' ' ' TYR . 1.1 mm? -59.92 -45.46 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.0 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -79.42 -52.05 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.6 -39.54 52.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 9.6 t80 -63.66 -39.08 93.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -62.24 -55.82 24.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -53.39 -55.99 20.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.64 -50.09 75.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -55.44 -44.85 76.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 7.1 tttt -68.82 -59.15 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 15' ' ' GLN . 5.3 m-85 -48.53 -31.24 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' SER . 10.0 tpp -77.39 -38.71 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -40.57 -33.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.525 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -86.51 -36.96 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -74.87 123.81 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 t -125.89 16.92 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.26 -179.49 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -104.92 140.27 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.21 -22.93 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -70.04 -24.47 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -45.44 55.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.6 t -70.53 -27.52 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -58.49 -56.03 27.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -58.88 -34.98 72.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -56.19 -43.81 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 12.0 m-85 -81.89 -13.76 57.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.7 mm-40 -85.15 -57.87 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -113.93 -32.44 6.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -60.24 157.98 27.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -46.56 -28.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.478 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 8.7 mmt -56.88 -16.55 6.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -77.19 -2.5 34.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -27.22 67.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -109.61 31.27 5.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.7 t -124.27 129.41 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.44 131.35 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.39 -98.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -135.34 19.3 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.83 170.27 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 tt -131.18 157.59 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.2 -175.18 42.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 26.2 t80 -78.96 -25.64 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.42 67.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.3 -40.84 98.24 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -54.74 -27.88 44.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.51 -61.04 2.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.24 -28.24 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 16.7 t80 -58.41 -51.44 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.469 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 4.2 mt -54.72 -22.33 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -66.65 -59.06 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.6 -47.97 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.74 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 8.8 t80 -49.25 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.09 -8.89 49.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.67 32.85 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 19' ' ' TYR . 1.8 m -97.06 161.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.459 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 23.2 t0 -97.36 -14.09 21.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -163.53 106.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.02 148.7 35.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 128.62 11.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -35.27 74.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -38.83 62.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 tp -74.21 -46.19 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 p -57.44 -30.52 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 tp -70.17 -49.22 52.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.27 -33.11 71.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 5.4 mt -54.71 -43.37 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 50' ' ' TYR . 3.6 t80 -68.61 -48.29 64.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.36 -46.19 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 t -45.97 -60.29 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -121.48 126.89 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.506 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.5 m -118.02 171.15 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.15 153.46 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 98' ' ' ASP . 1.2 m -74.93 136.53 41.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 108.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -54.3 10.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -55.07 -31.64 61.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' HB2' ' CB ' ' A' ' 95' ' ' CYS . 0.4 OUTLIER -65.82 -43.61 88.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.73 -32.31 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.433 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 22.6 t -66.04 -24.12 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.2 t -77.0 -50.68 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 108.34 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.429 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 27.9 t80 -60.77 -54.35 46.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.74 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-30 -58.29 -33.27 69.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.5 t -58.97 -35.09 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -36.66 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.418 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.93 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -39.73 63.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -50.32 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CZ ' HD22 ' A' ' 106' ' ' LEU . 0.6 OUTLIER -52.94 -40.75 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.0 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.36 96.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' OE1' ' CD1' ' A' ' 19' ' ' TYR . 2.8 tp60 -70.84 -52.68 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -52.38 -45.28 65.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -56.26 -63.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.19 -53.22 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.591 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 1.8 m-85 -57.71 -42.79 84.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 mtp -61.68 -44.92 96.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -53.85 5.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -39.62 68.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 134.17 41.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -117.02 20.42 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -97.7 164.1 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 4.9 mmtm -105.09 146.01 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.61 -23.36 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -65.95 -32.52 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.28 -41.4 70.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 HG13 ' CE1' ' A' ' 56' ' ' PHE . 54.4 t -74.18 -25.52 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -63.65 -54.89 28.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -58.2 -31.35 67.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.1 mt -59.71 -45.16 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 15.0 m-85 -81.54 -13.67 57.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.3 mm-40 -84.03 -57.74 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -115.95 -32.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -54.9 176.19 0.5 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.42 -21.5 66.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.48 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 33.8 mmt -66.24 -8.52 25.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.61 -2.19 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.2 -12.07 59.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.564 ' CD1' ' HA2' ' A' ' 52' ' ' GLY . 12.7 m-85 -108.29 18.54 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -119.62 128.42 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -123.04 125.8 45.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.79 31.57 46.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.504 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 1.4 t0 80.43 -1.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 93' ' ' VAL . . . -106.68 130.1 54.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 tt -92.85 150.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.8 165.21 29.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.66 -37.89 83.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 1.4 tt0 -68.12 -46.58 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.564 ' HA2' ' CD1' ' A' ' 42' ' ' TYR . . . -56.54 -38.34 80.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -56.76 -27.62 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 3.5 mm-40 -61.45 -59.57 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.457 ' CD ' ' CD2' ' A' ' 42' ' ' TYR . 5.3 pt20 -57.16 -23.83 50.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 1.9 t80 -66.35 -50.83 62.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 3.7 mt -63.95 -22.63 67.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.9 tttm -68.07 -59.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.464 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 50.3 mt -71.83 -48.48 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 15.3 t80 -45.6 -68.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.53 -13.58 60.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.82 4.91 5.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.03 158.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -86.94 -14.06 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.51 116.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -87.32 148.44 44.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.51 15.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -61.27 -32.51 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -53.31 -49.08 67.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.65 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.6 tp -74.74 -46.62 36.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.17 -25.24 58.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' ARG . 6.2 tp -75.1 -49.18 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.71 -26.99 62.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 57' ' ' LEU . 5.8 mt -60.5 -40.64 92.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.35 -40.73 77.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.1 -20.58 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -68.68 73.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 36.8 t80 60.74 166.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.451 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 14.5 mp0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.46 HG23 ' CB ' ' A' ' 47' ' ' ALA . 7.1 m -134.85 161.74 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 79' ' ' GLU . 90.4 t -131.58 149.08 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.44 97.29 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 46' ' ' ASP . 1.5 pt? -48.32 -24.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -74.47 -47.32 34.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -26.94 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.484 HG12 ' CD2' ' A' ' 103' ' ' PHE . 76.5 t -75.06 -30.76 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.402 ' CB ' HD21 ' A' ' 31' ' ' LEU . 9.4 t -59.77 -33.32 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.15 -54.71 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -38.27 59.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.484 ' CD2' HG12 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -74.12 -31.04 62.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.5 t -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -37.1 63.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.454 HD22 ' CZ ' ' A' ' 13' ' ' PHE . 3.3 mm? -47.83 -51.37 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.411 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.0 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -49.04 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -38.02 61.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.1 -35.31 79.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.9 -56.32 18.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -51.71 -56.06 15.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -56.47 -40.12 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -58.91 -57.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -60.18 -52.0 67.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.491 ' CE1' ' HG3' ' A' ' 15' ' ' GLN . 4.5 m-85 -57.18 -37.71 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' SER . 40.2 ttm -71.84 -47.71 51.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -42.15 -50.98 4.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.09 -33.04 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -77.17 148.56 35.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -138.43 11.99 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -94.03 173.92 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -105.25 141.45 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' A' ' 60' ' ' TYR . 9.1 p -72.87 -33.59 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -29.19 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -32.56 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.94 -36.57 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.97 -35.11 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.64 -29.97 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.565 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 1.7 mt -80.93 -33.41 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -81.5 -13.65 57.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -87.39 -49.12 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 11.6 t70 -122.9 -34.0 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.565 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.45 165.64 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.32 -27.5 23.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.438 ' SD ' ' NE2' ' A' ' 55' ' ' GLN . 37.6 mmt -56.57 -17.29 8.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.96 -2.31 33.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -64.42 -28.85 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -105.69 35.34 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.5 t -128.11 128.68 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -118.91 122.94 43.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.55 33.98 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 12.2 t0 77.23 1.72 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.48 137.55 44.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 96' ' ' LEU . 8.9 tt -113.88 153.19 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.73 -171.15 43.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.3 t80 -74.55 -56.3 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -50.49 -47.2 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.01 -37.62 71.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.62 -28.04 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.92 -43.61 94.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' NE2' ' SD ' ' A' ' 39' ' ' MET . 10.7 tt0 -64.75 -32.32 73.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 22.5 t80 -60.51 -51.38 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.431 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.77 -22.23 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.4 tttt -67.92 -58.82 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.417 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 1.2 mp -75.04 -48.2 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.749 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 3.1 t80 -47.4 -66.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD2' ' HA ' ' A' ' 20' ' ' MET . 7.0 mt -79.19 -7.77 58.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.9 tm-20 64.57 11.25 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -71.09 151.72 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 26.9 t70 -89.11 -8.26 54.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -169.91 116.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.42 147.24 33.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.37 28.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -32.77 69.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -55.58 -44.64 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.635 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 2.2 tp -69.32 -48.89 60.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -23.29 57.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.6 -48.82 24.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.42 -34.28 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 70' ' ' LEU . 6.2 mt -55.09 -44.05 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' CE2' ' OE2' ' A' ' 79' ' ' GLU . 6.7 t80 -73.49 -47.56 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.29 -22.0 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.3 t -66.72 -68.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -120.24 151.76 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 75' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.4 156.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.3 151.77 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 97' ' ' ASN . 4.9 t -74.46 94.22 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 46' ' ' ASP . 1.3 pt? -48.58 -22.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 95' ' ' CYS . 12.6 t30 -66.77 -50.7 61.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.59 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 9.9 t70 -55.31 -29.88 59.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.25 -38.16 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -59.23 -26.37 64.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -77.14 -55.87 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.2 -40.45 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.749 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 m-30 -72.73 -37.7 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 t -59.66 -36.52 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.28 -44.71 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HB3' ' CE ' ' A' ' 20' ' ' MET . 4.2 mp -48.1 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -43.69 29.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.9 -41.95 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.49 -44.84 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.9 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.409 ' C ' ' OE1' ' A' ' 15' ' ' GLN . 14.3 tm0? -50.89 -53.04 35.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' A' ' 20' ' ' MET . 10.7 tp -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.16 -31.69 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -82.09 -46.26 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.565 ' CE2' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -68.02 -55.11 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 3.3 ppp? -53.05 -27.7 21.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -53.87 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -46.32 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 144.51 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.4 p -127.94 10.92 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -79.1 -179.42 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -105.11 143.33 33.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.78 -28.49 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -69.09 -23.38 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -41.37 66.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.543 HG11 ' CE2' ' A' ' 56' ' ' PHE . 76.1 t -75.13 -26.26 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -51.51 62.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.36 -31.68 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.0 mt -57.93 -41.84 83.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.492 ' CZ ' ' HE1' ' A' ' 39' ' ' MET . 18.4 m-85 -81.58 -12.94 58.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -86.78 -51.12 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.33 -34.14 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.19 170.7 0.69 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -60.17 -14.24 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.492 ' HE1' ' CZ ' ' A' ' 34' ' ' PHE . 79.4 mmm -79.34 5.12 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.53 -2.27 58.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -76.23 -20.66 57.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -116.03 47.44 1.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.59 130.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -102.63 85.51 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.93 -88.3 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.62 22.44 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.38 131.48 30.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.423 ' CG1' ' HA3' ' A' ' 52' ' ' GLY . 16.1 tt -113.85 151.64 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.0 -175.31 47.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -61.02 -57.14 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.36 -33.07 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.423 ' HA3' ' CG1' ' A' ' 48' ' ' ILE . . . -77.61 -29.25 55.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.535 ' CZ ' HG21 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -76.06 -55.34 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -29.0 62.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -35.39 76.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 37.7 t80 -57.33 -46.42 83.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -55.83 -22.17 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 21.0 tttt -69.55 -59.6 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.412 HD11 ' CE ' ' A' ' 39' ' ' MET . 1.7 mp -72.42 -47.49 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . 2.4 t80 -40.06 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.29 -9.34 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 5.4 tt0 71.71 7.12 5.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 19' ' ' TYR . 1.9 m -55.47 153.38 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 -9.49 40.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.01 115.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -98.39 149.07 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.28 11.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' LEU . 1.6 ptp180 -60.75 -25.54 66.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.44 -48.1 81.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 2.5 tp -75.01 -46.48 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -25.22 66.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ARG . 12.2 tp -73.56 -49.26 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 57' ' ' LEU . 5.8 mt -60.78 -47.06 88.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -74.96 -41.0 60.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -40.22 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 74' ' ' LEU . 52.6 p -62.57 -49.62 74.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.452 ' CD2' HG22 ' A' ' 99' ' ' VAL . 24.6 m-85 -101.35 107.33 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 m -107.32 160.2 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.2 p -136.91 162.38 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.29 136.68 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.89 37.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -58.34 -39.09 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.22 -37.54 80.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.535 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 39.6 t -74.4 -47.06 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.0 t -54.64 -21.54 10.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -72.3 -46.07 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.93 -52.74 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.22 -40.4 94.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.8 t -59.28 -40.16 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -37.15 74.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.54 -66.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.463 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -50.63 13.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.414 ' OD2' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.67 -38.39 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -35.93 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.6 44.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.1 tp60 -51.61 -55.8 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.49 -41.56 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -56.64 -58.72 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 9.9 m-85 -51.83 -44.22 63.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.452 ' CG ' HD23 ' A' ' 61' ' ' LEU . 79.0 mtp -62.27 -56.08 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -53.17 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -39.27 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.0 165.78 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -142.57 63.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 169.62 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -105.14 146.43 29.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.63 -31.86 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -64.45 -36.27 83.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.8 -33.89 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.7 t -73.89 -44.19 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 37.0 mt -67.64 -21.44 65.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -26.19 66.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.622 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 1.2 mt -82.49 -27.58 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 31.5 m-85 -77.3 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 11.2 pt-20 -103.84 -45.45 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -114.29 -32.74 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.622 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -67.18 168.95 36.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.69 -25.64 67.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -55.98 -16.97 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -75.52 -2.48 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -68.02 -26.24 65.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.406 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 3.9 m-30 -111.92 44.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.7 t -126.96 128.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' ALA . 28.2 mt-30 -117.62 121.93 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.3 58.8 4.96 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.62 22.06 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -124.93 168.22 13.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 tt -141.78 151.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.16 175.81 43.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -68.46 -30.44 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.4 -54.79 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -54.44 -31.23 51.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 75.2 t80 -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.24 -44.47 95.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 9.3 pt20 -75.85 -22.56 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 25.4 t80 -68.27 -40.01 82.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 53' ' ' PHE . 2.3 mt -61.91 -22.69 65.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 1.3 tttt -69.82 -60.03 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 55' ' ' GLN . 4.2 mp -70.96 -45.81 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CD2' ' CD1' ' A' ' 61' ' ' LEU . 2.5 t80 -39.98 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' CD1' ' CD2' ' A' ' 60' ' ' TYR . 1.5 mp -83.48 -3.15 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.491 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER 69.22 6.0 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 2.0 m -55.03 152.59 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.54 -9.25 44.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 116.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -98.64 147.4 33.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.53 17.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -35.12 80.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -53.33 -41.93 66.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.486 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 1.7 tp -74.07 -47.59 35.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -23.19 47.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 tp -74.96 -46.87 32.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.75 64.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 4.9 mt -53.44 -56.82 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 50' ' ' TYR . 12.3 t80 -62.63 -42.15 99.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -52.75 -45.05 66.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.543 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 25.2 t -85.18 48.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 77' ' ' SER . 0.9 OUTLIER 176.91 109.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.71 160.18 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 95' ' ' CYS . 87.9 t -121.41 152.96 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.422 ' N ' HG12 ' A' ' 94' ' ' VAL . 10.9 m -75.14 135.29 41.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.02 -43.24 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -61.9 -44.15 97.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.22 -44.15 88.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.42 -41.48 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.406 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 47.5 t -55.32 -22.64 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.93 -50.98 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.21 -49.82 73.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.485 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.3 m-85 -61.84 -33.45 74.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 t -65.17 -38.76 91.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.82 -32.33 61.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mp -47.66 -61.72 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -48.57 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.12 -42.63 96.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.94 -45.09 93.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -57.11 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -51.2 -54.14 28.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -48.43 74.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -59.9 -57.1 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -47.4 -55.36 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.549 ' CD2' HG11 ' A' ' 63' ' ' VAL . 2.0 m-85 -61.65 -48.53 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 23' ' ' SER . 52.9 ttm -56.9 -56.34 22.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.25 -53.43 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -35.82 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -78.75 165.27 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.3 p -137.08 10.91 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -84.32 -177.81 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -134.93 155.09 51.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.89 -32.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -69.38 -22.67 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -44.71 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.422 HG23 ' CG2' ' A' ' 59' ' ' ILE . 71.9 t -73.87 -32.43 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -55.8 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -59.35 -22.26 61.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.578 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 16.8 mt -81.63 -28.13 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CE1' ' CD1' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -75.0 -10.99 60.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 15.1 pt-20 -103.62 -45.39 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -117.47 -33.33 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.578 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.52 -175.49 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.45 -16.42 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.589 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 17.5 mmt -74.78 -11.51 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.79 -2.63 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -75.24 -22.72 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.79 49.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.2 t -126.46 132.22 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -105.76 89.08 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.96 -95.27 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.39 13.5 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.64 139.76 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.701 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 10.3 tt -119.59 158.63 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.77 -170.89 40.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -65.98 -54.4 26.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -48.74 -33.93 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.14 -29.39 41.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -78.28 -38.68 42.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -36.04 69.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.42 ' NE2' ' HE3' ' A' ' 39' ' ' MET . 14.6 pt20 -73.67 -26.46 60.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -61.59 -44.28 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.52 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -56.06 -21.44 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.2 tttp -64.27 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' CG2' HG23 ' A' ' 30' ' ' VAL . 3.9 mp -70.4 -45.51 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 2.1 t80 -39.88 -69.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.46 -2.75 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 4.1 tt0 66.58 8.9 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.549 HG11 ' CD2' ' A' ' 19' ' ' TYR . 2.4 m -58.27 155.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.454 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 3.9 m-20 -89.79 -9.99 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -173.4 117.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -95.02 147.55 33.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -53.74 -42.78 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 3.5 tp -74.12 -44.11 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -56.65 -33.41 66.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.62 -48.36 64.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.2 -29.28 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.52 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 6.9 mt -62.72 -48.82 77.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CE2' ' OE1' ' A' ' 79' ' ' GLU . 8.5 t80 -66.19 -40.5 90.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.14 -26.79 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -71.58 -48.9 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -123.85 126.73 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 57.9 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.1 m -114.6 177.95 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.22 159.13 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.9 t -75.14 140.12 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 48' ' ' ILE . 1.1 mp -83.15 -57.11 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -48.98 -30.28 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.6 m-20 -67.3 -41.83 84.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 103' ' ' PHE . 79.4 t -72.53 -43.06 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.2 t -58.49 -23.72 58.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.1 -54.4 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.29 -42.66 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CD1' HG13 ' A' ' 99' ' ' VAL . 5.6 m-85 -67.4 -30.0 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.9 t -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.29 -52.64 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -61.77 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.98 -4.91 16.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -50.03 11.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -31.04 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.8 -42.54 93.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.85 71.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.657 ' NE2' ' CE1' ' A' ' 19' ' ' TYR . 15.8 tm0? -50.62 -53.08 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.01 -35.68 79.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.63 -56.95 15.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -60.43 -27.95 67.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.657 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -77.35 -42.66 35.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 91.7 mtp -78.01 -44.08 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 13.4 pt-20 -44.59 -47.27 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -73.65 -29.57 62.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.64 150.43 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.0 p -131.81 10.84 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -75.34 -176.69 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 136.68 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 60' ' ' TYR . 1.4 p -70.1 -22.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.03 -40.86 81.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -75.59 -35.53 60.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.56 HG11 ' CE1' ' A' ' 56' ' ' PHE . 73.9 t -71.51 -29.22 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' VAL . 2.2 mm? -67.02 -62.58 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -18.64 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.1 mt -66.52 -45.92 77.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.591 ' CZ ' ' CD2' ' A' ' 56' ' ' PHE . 19.6 m-85 -83.09 -12.69 56.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.62 -60.15 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -134.64 24.13 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -102.95 -156.24 25.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -23.62 47.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.55 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 32.3 mmt -83.82 11.34 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.24 -2.52 56.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 2.2 ptpt -83.36 -20.42 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 4.6 m-30 -112.0 39.63 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.3 t -123.28 135.22 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -103.5 89.09 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.93 -99.78 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.43 9.33 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.26 141.45 49.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 tt -109.14 153.92 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.77 173.88 54.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -72.02 -30.33 65.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.72 -51.56 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -55.77 -28.94 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -66.27 -27.09 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -60.48 -56.3 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' NE2' ' SD ' ' A' ' 39' ' ' MET . 7.3 pt20 -56.92 -30.18 63.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 2.7 t80 -56.88 -53.4 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 74' ' ' LEU . 11.0 mt -58.54 -22.28 55.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -58.64 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 2.3 mt -73.21 -48.48 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.572 ' CE1' HG21 ' A' ' 27' ' ' VAL . 24.7 t80 -48.07 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 7.2 mt -70.65 -7.67 46.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.47 13.46 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -70.69 155.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -13.03 52.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.73 117.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -96.31 147.87 33.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.4 21.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -35.79 78.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -52.71 -46.96 67.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 3.7 tp -74.28 -40.43 62.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.5 m -56.58 -35.99 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.99 -49.14 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.35 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 57' ' ' LEU . 5.4 mt -56.48 -43.85 80.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -72.14 -39.44 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -57.36 -20.96 32.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.5 p -48.6 -39.55 24.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' HG11 ' A' ' 94' ' ' VAL . 59.8 t80 -118.09 -70.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.2 m -128.9 168.33 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 78' ' ' PHE . 84.4 t -142.41 152.2 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.35 135.6 40.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 108.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.58 -25.1 49.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -74.96 -39.14 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' OD2' ' CE1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -64.03 -42.24 97.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.592 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 58.5 t -67.0 -28.06 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 p -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.09 -43.36 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -56.18 -51.76 66.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.592 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 5.8 m-85 -63.32 -41.36 98.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.0 t -58.91 -31.58 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.54 -42.1 92.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -44.97 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.98 -2.12 12.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -46.56 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.97 -40.05 60.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.66 -46.06 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -59.21 -43.04 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.574 ' HG3' ' CD2' ' A' ' 19' ' ' TYR . 4.2 tp-100 -62.92 -50.38 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 74' ' ' LEU . 5.6 mt -63.62 -43.23 97.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.51 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -42.44 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' HG3' ' A' ' 15' ' ' GLN . 4.7 m-85 -72.05 -53.51 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.413 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.1 ppp? -60.62 -21.44 62.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -53.5 57.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -22.84 67.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 118.37 29.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -118.44 14.77 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -178.96 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -105.19 142.96 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -72.79 -27.14 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.8 p -68.19 -22.69 64.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -73.21 -47.92 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.99 -30.29 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -52.66 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -58.23 -29.83 66.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.3 mt -65.82 -33.16 75.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.463 ' CB ' HD22 ' A' ' 96' ' ' LEU . 4.9 m-85 -79.47 -10.68 59.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -104.51 -45.16 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 7.4 t0 -114.27 -34.64 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.563 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.86 -171.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.48 -30.77 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.454 ' HE3' ' CD1' ' A' ' 59' ' ' ILE . 3.6 tpp -64.23 -9.04 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.66 -2.37 29.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -20.14 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.07 24.87 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -108.03 130.96 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.67 130.12 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 54.17 23.89 26.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 4.3 t70 82.89 -5.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.76 155.55 16.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.7 pt -96.62 159.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -111.86 -171.22 18.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 13.5 t80 -55.7 -57.76 10.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 0.729 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.434 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -64.06 -39.72 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.43 -24.85 66.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -76.19 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 51' ' ' GLU . 2.2 pm0 -64.6 -28.72 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -62.99 -32.66 74.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.731 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 42.1 t80 -64.5 -47.13 80.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 74' ' ' LEU . 2.4 mp -54.5 -22.22 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -68.33 -59.2 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' HE3' ' A' ' 39' ' ' MET . 77.7 mt -73.13 -48.03 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 14.7 t80 -44.16 -69.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -74.71 -25.74 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER 83.28 12.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.47 165.8 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -5.08 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.39 117.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.5 147.62 34.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ttm105 -51.82 -26.23 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -59.16 -43.26 92.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 2.7 tp -71.62 -45.18 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -27.01 54.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.42 -47.1 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.66 68.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' CD1' HD22 ' A' ' 57' ' ' LEU . 4.3 mt -52.74 -47.51 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.598 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 3.3 t80 -58.99 -45.34 90.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -52.85 -31.88 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.565 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.7 t -57.45 -61.07 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 77' ' ' SER . 1.0 OUTLIER -127.88 143.28 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.598 ' OE1' ' CD2' ' A' ' 75' ' ' PHE . 2.1 tt0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.5 m -123.74 172.98 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.479 HG22 ' CE1' ' A' ' 75' ' ' PHE . 93.5 t -140.65 151.4 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.5 t -76.15 144.24 40.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -70.74 -43.26 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.96 -35.68 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.73 -46.89 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.449 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 61.7 t -68.81 -29.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' SER . 38.7 t -73.82 -27.46 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.05 -49.44 15.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -54.41 -56.67 16.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.776 ' CE1' ' CE2' ' A' ' 60' ' ' TYR . 12.2 m-85 -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.7 t -59.18 -31.35 68.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.48 -44.47 51.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -57.75 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.25 -51.16 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -35.16 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CZ ' HD12 ' A' ' 106' ' ' LEU . 0.7 OUTLIER -61.59 -34.29 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -52.27 46.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.5 tp60 -52.27 -55.82 18.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -51.71 -43.67 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -58.13 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -50.92 45.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.492 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 3.7 m-85 -60.3 -42.5 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.7 ttm -65.13 -48.23 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.5 -53.14 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.85 -39.59 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -77.96 175.72 9.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 t -144.06 17.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -88.78 -176.82 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.67 143.32 47.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.6 -36.98 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -24.57 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -44.03 38.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 60' ' ' TYR . 88.3 t -74.93 -26.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -52.2 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -27.5 64.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 13.2 mt -69.51 -39.31 77.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.7 ' CZ ' ' CE ' ' A' ' 39' ' ' MET . 2.5 m-85 -81.59 -13.08 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -86.46 -51.16 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.76 -33.8 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.99 162.83 3.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -50.91 -21.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.7 ' CE ' ' CZ ' ' A' ' 34' ' ' PHE . 88.4 mmm -71.18 -3.94 22.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.15 -2.56 52.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -74.91 -18.08 60.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.175 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -112.4 43.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -137.45 131.88 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -102.8 79.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.52 -100.12 1.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.8 15.27 15.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.24 139.45 48.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' A' ' 34' ' ' PHE . 7.6 tt -112.91 157.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -171.17 42.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.94 -47.0 66.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -49.55 -55.58 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 56' ' ' PHE . . . -56.53 -24.81 48.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -55.11 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 1.3 pp0? -70.41 -34.45 72.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' NE2' ' HE2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.755 ' CZ ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -69.59 -39.03 77.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.586 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.61 -22.25 12.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.8 tptp -67.9 -59.46 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.2 mp -73.57 -47.89 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.755 ' CG ' ' CZ ' ' A' ' 56' ' ' PHE . 6.7 t80 -40.38 -73.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.78 -16.82 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 2.3 tm-20 77.41 12.91 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m -67.22 168.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 2.2 m-20 -115.65 -5.93 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -162.57 104.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.12 147.19 33.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 125.25 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.93 -30.21 65.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -58.01 -41.48 83.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.603 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' A' ' 57' ' ' LEU . 3.6 tp -74.47 -41.79 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 t -56.72 -51.81 67.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -49.5 75.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.37 77.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.586 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 7.0 mt -66.09 -36.35 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.15 -54.09 12.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -52.91 -34.84 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -44.87 -50.83 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -112.3 165.3 12.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.2 m -117.92 173.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.15 153.98 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.99 138.35 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.36 -34.47 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -65.16 -31.58 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -49.77 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 103' ' ' PHE . 95.4 t -65.46 -33.83 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -64.09 -25.12 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.54 -54.42 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.53 -53.94 47.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.484 ' CD2' HG11 ' A' ' 99' ' ' VAL . 2.8 m-85 -61.32 -34.8 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -59.71 -33.19 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -51.27 35.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.511 HD12 ' CZ ' ' A' ' 13' ' ' PHE . 1.3 mp -52.61 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.499 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -97.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.23 -42.9 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.28 -36.57 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.499 ' HB2' ' CA ' ' A' ' 9' ' ' SER . 12.7 t80 -77.54 -38.79 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.7 -48.15 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -51.48 -54.15 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -55.42 -54.73 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -54.97 -52.74 62.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 18.9 tttt -58.18 -52.17 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.467 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.7 m-85 -48.43 -31.22 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' SER . 2.3 tpp -77.52 -29.32 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -45.18 -35.12 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -89.46 -23.41 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -75.42 116.08 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.8 p -107.9 11.17 28.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.83 170.72 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -104.79 146.16 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.82 -29.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -65.22 -28.06 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -72.56 -44.45 62.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.0 t -68.7 -24.86 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -60.46 -52.04 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.232 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.83 -33.97 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.7 mt -57.58 -44.04 85.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.504 ' CE1' ' HE1' ' A' ' 39' ' ' MET . 13.9 m-85 -81.8 -13.82 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.9 mm-40 -84.41 -57.8 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.1 -32.38 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -57.65 156.68 16.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -25.18 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.504 ' HE1' ' CE1' ' A' ' 34' ' ' PHE . 68.6 mmm -63.4 -11.23 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -80.67 -2.59 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -9.81 48.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CD2' ' OE1' ' A' ' 55' ' ' GLN . 36.1 m-85 -123.5 41.47 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.6 t -131.36 127.74 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -121.75 134.48 54.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.71 34.28 36.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.21 18.52 6.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -125.06 164.11 20.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 tt -131.85 151.54 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.7 175.06 33.8 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -57.36 -46.9 82.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -52.6 -53.14 50.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.0 -27.95 47.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -26.96 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.34 -61.11 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.582 ' OE1' ' CD2' ' A' ' 42' ' ' TYR . 10.3 pt20 -60.93 -28.59 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 8.6 t80 -56.75 -53.11 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 ' CD2' HD13 ' A' ' 74' ' ' LEU . 11.5 mt -54.64 -22.22 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -57.83 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.426 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 13.0 mt -76.35 -47.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 3.5 t80 -49.13 -62.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 11.3 mt -86.37 11.44 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 39.26 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 61' ' ' LEU . 2.7 m -86.41 153.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.453 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 14.8 p-10 -85.06 -10.67 56.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -174.93 117.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -99.37 147.29 33.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.28 15.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.39 -36.22 83.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -53.2 -41.41 65.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.634 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 tp -75.01 -44.61 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 m -56.67 -23.82 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.25 -48.43 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.22 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 57' ' ' LEU . 4.0 mt -53.06 -45.02 67.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.81 -48.81 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.66 -27.6 64.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -45.82 -28.84 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -146.96 -67.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.81 151.39 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.36 153.55 34.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.11 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -32.8 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.0 -38.05 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.89 -42.19 85.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.617 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 10.3 t -67.3 -28.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.429 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 15.6 t -67.21 -31.38 71.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -38.95 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 108.254 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.88 -56.9 13.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.617 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 9.3 m-85 -62.45 -27.2 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 t -60.03 -30.15 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -36.89 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.33 -62.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.04 -2.69 12.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -79.73 -46.19 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.74 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.68 -37.14 67.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.83 81.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.586 ' CD ' ' CE2' ' A' ' 19' ' ' TYR . 3.1 tp-100 -71.34 -51.99 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -51.6 -41.83 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.84 -56.34 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -48.91 -46.18 42.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE2' ' CD ' ' A' ' 15' ' ' GLN . 5.5 m-85 -63.82 -42.36 97.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.6 ttm -68.43 -40.56 81.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.39 -48.06 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.17 -41.97 94.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.82 159.12 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -147.41 18.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.12 -178.87 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -104.6 146.43 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.35 -35.17 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -72.88 -27.14 61.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -75.5 -40.43 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 HG12 ' CG2' ' A' ' 59' ' ' ILE . 98.6 t -73.2 -34.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 33.3 mt -70.43 -27.69 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -17.47 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -78.85 -39.7 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 39' ' ' MET . 3.4 m-85 -81.55 -14.46 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.97 -57.84 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.71 -32.34 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -55.69 164.66 4.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -54.14 -25.7 23.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 63.9 mmm -61.99 -13.08 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.27 -2.56 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -13.15 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -111.67 2.42 17.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 t -94.41 140.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -108.99 80.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.18 -95.12 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.64 -8.05 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.19 174.09 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.439 ' HB ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -145.25 155.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' HD11 ' A' ' 48' ' ' ILE . . . -75.03 176.84 49.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -81.2 -52.0 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -43.98 79.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.76 -39.48 67.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -27.67 50.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.7 -33.1 74.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.48 -37.92 68.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.451 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t80 -57.38 -46.16 83.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 1.1 mt -58.91 -22.12 58.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.462 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -70.04 -59.63 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.461 ' CG2' HG12 ' A' ' 30' ' ' VAL . 30.9 mt -72.03 -46.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -39.51 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.21 -4.9 57.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.462 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 69.68 6.32 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.558 HG13 ' CD1' ' A' ' 19' ' ' TYR . 1.7 m -54.64 143.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.72 -11.03 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.14 116.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.81 147.5 35.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 133.05 16.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -62.37 -34.91 77.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -53.22 -45.51 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 3.9 tp -72.64 -37.66 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -39.58 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' HG ' ' NE2' ' A' ' 76' ' ' GLN . 7.0 tp -68.73 -49.23 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.29 69.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 70' ' ' LEU . 8.8 mt -73.02 -37.23 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -72.69 -55.12 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.401 ' NE2' ' HG ' ' A' ' 72' ' ' LEU . 3.2 pt20 -57.57 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.5 t -47.6 -54.84 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -126.34 137.65 53.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.11 159.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 95' ' ' CYS . 59.8 t -150.85 146.48 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.463 ' N ' HG13 ' A' ' 94' ' ' VAL . 3.1 t -75.88 120.08 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.439 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -75.2 -15.18 60.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.436 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 5.1 t-20 -76.79 -47.44 21.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.49 -31.83 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.558 HG13 ' CD2' ' A' ' 103' ' ' PHE . 22.1 t -73.87 -32.43 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 21.3 t -62.04 -22.9 66.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.08 -55.09 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -53.74 -50.05 66.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CD2' HG13 ' A' ' 99' ' ' VAL . 5.3 m-85 -61.54 -37.87 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -58.97 -30.18 67.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -42.61 57.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.51 -59.02 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.516 0.198 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.44 73.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 11.6 tptt -103.92 -130.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 9.8 tt0 79.37 149.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.02 35.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.56 102.47 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.16 -172.18 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.1 pt -40.43 119.97 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.531 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -50.15 179.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.531 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.04 -1.64 11.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -79.47 -47.74 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 2.0 t80 -65.94 -33.33 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -66.82 -51.22 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.574 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -54.17 -56.24 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.98 -40.45 95.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 4.8 tt0 -61.28 -61.04 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -56.93 -29.62 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -68.55 -54.14 18.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 4.0 ptp -72.68 -24.19 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 20' ' ' MET . 0.7 OUTLIER -51.81 -48.46 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -27.37 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -80.07 159.74 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 p -134.03 10.82 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -70.72 -177.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -135.31 142.56 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.34 -34.0 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 p -67.43 -22.92 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.1 -46.92 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.85 -29.97 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -54.7 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -34.66 71.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 4.3 mt -56.31 -43.7 79.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 21.7 m-85 -80.92 -13.27 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.71 -57.45 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -116.21 -32.71 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.19 -174.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -28.32 64.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.798 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.539 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -63.11 -11.37 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.9 -2.39 36.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -75.29 -17.32 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -121.4 37.59 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.2 t -122.47 135.68 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -104.29 81.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.09 -103.14 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.87 17.47 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.42 144.16 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.5 tt -119.05 151.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.53 -176.85 47.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -73.66 -52.98 11.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.9 -53.02 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.85 -30.81 53.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -64.85 -28.05 69.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.73 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -32.39 67.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 6.8 t80 -57.54 -52.59 64.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.523 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 2.5 mt -62.63 -23.64 67.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -59.55 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 51.2 mt -70.49 -46.8 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.3 t80 -44.23 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.498 HD23 ' CG ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -83.68 7.58 17.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 61' ' ' LEU . 6.8 pt-20 47.43 24.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 m -76.93 162.49 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -97.35 -6.0 35.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.36 116.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -96.17 148.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.99 18.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -67.05 -25.23 66.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 74' ' ' LEU . 3.9 tp -69.1 -41.43 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -32.94 65.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -47.61 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.97 -20.13 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.523 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 8.1 mt -70.56 -50.62 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 1.5 t80 -66.05 -41.7 90.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -54.88 -36.66 65.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -52.67 -53.57 45.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.13 133.3 35.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' C ' ' CG2' ' A' ' 80' ' ' THR . 0.9 OUTLIER -144.49 -166.55 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER 167.96 134.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.65 81.17 0.51 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -148.96 172.22 15.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.566 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.8 t -170.03 138.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.342 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.06 42.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.72 45.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.58 127.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -107.26 47.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -135.74 87.88 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.7 t -101.13 38.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LYS . 8.4 t -81.49 161.14 23.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 90' ' ' THR . 8.2 ptmt 36.4 80.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -92.12 121.86 34.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.4 m -108.34 161.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.461 ' HA ' ' CG2' ' A' ' 80' ' ' THR . 1.6 p -138.19 148.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.7 t -75.05 136.28 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -39.37 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -58.56 -32.43 68.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.08 -45.99 65.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.44 -35.26 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -26.74 68.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.2 t -77.14 -53.98 7.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.26 -44.9 76.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.12 -32.14 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -58.76 -26.05 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -44.57 68.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.02 -66.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -54.51 -36.68 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -175.59 -82.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.36 106.36 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -112.59 96.21 35.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.65 15.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.64 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 177.05 115.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 151.07 25.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.33 176.05 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.48 129.51 14.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -106.53 71.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.519 0.2 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.43 53.8 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.17 -130.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.27 144.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.79 91.03 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.71 136.15 9.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.9 86.54 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' SER . 10.6 pt -106.03 117.43 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.67 179.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.04 -0.16 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -48.47 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' OD2' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.06 -33.93 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.81 -44.12 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -59.5 -52.64 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.478 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.2 tp60 -50.51 -53.57 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.51 -49.84 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.458 ' HA ' ' CG ' ' A' ' 20' ' ' MET . 7.9 tt0 -59.44 -18.77 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.478 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 24.6 m-85 -69.72 -44.14 70.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.458 ' CG ' ' HA ' ' A' ' 17' ' ' GLN . 3.1 ppp? -68.69 -19.33 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 9.2 pt-20 -40.28 -47.26 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -85.06 -47.6 10.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 44.7 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 t -102.09 15.65 28.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -138.21 168.66 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -105.39 139.56 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.23 -26.47 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.2 m -81.87 -34.9 29.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -34.62 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG13 ' CE1' ' A' ' 56' ' ' PHE . 22.8 t -67.77 -45.18 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD21 ' CE1' ' A' ' 56' ' ' PHE . 32.2 mt -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -20.89 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.526 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 2.2 mt -80.73 -32.42 35.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.412 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 16.6 m-85 -81.41 -14.16 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.38 -57.77 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.24 -32.18 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.77 170.09 3.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.05 -29.51 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.444 ' SD ' ' CD1' ' A' ' 59' ' ' ILE . 36.8 mmt -58.32 -15.16 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -78.93 -2.39 39.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HE3' ' CE2' ' A' ' 42' ' ' TYR . 1.6 pttt -67.12 -31.26 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.473 ' CE2' ' HE3' ' A' ' 41' ' ' LYS . 23.1 m-85 -108.11 33.95 3.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -117.84 130.97 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -101.81 81.09 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.4 -94.12 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.05 18.67 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.71 138.8 38.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.436 HG23 ' CD2' ' A' ' 96' ' ' LEU . 14.6 tt -116.02 157.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.18 -179.92 52.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' CD2' ' N ' ' A' ' 51' ' ' GLU . 2.9 t80 -69.0 -57.0 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' N ' ' CD2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -50.86 -44.93 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.267 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.83 -39.99 70.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -27.69 45.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.62 -32.09 73.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -75.12 -29.94 60.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 49.4 t80 -68.76 -48.08 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 74' ' ' LEU . 1.3 mt -59.58 -21.81 60.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 3.2 tttt -69.65 -59.48 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.444 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 11.5 mt -73.84 -47.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.593 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 3.5 t80 -40.38 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' CD1' HD23 ' A' ' 57' ' ' LEU . 1.9 mp -75.32 -21.32 58.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER 82.28 10.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.09 157.68 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.66 -7.86 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -175.2 117.46 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.31 147.54 33.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.94 22.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -66.74 -33.35 75.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -53.81 -47.08 71.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 2.3 tp -71.81 -46.7 57.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -23.67 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ARG . 9.8 tp -74.65 -49.2 22.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.19 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' CD1' HD22 ' A' ' 57' ' ' LEU . 6.0 mt -58.77 -50.99 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 79' ' ' GLU . 19.8 t80 -71.9 -43.16 65.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.98 -31.06 38.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -55.57 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.27 142.02 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 75' ' ' PHE . 13.8 pt-20 -177.97 41.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLU . 17.4 p 52.13 105.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.77 101.8 0.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.62 94.6 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.552 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 t -165.5 135.2 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.264 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -122.56 42.05 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.2 108.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.7 133.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -80.15 55.24 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -145.94 54.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.09 74.93 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.6 t -127.69 2.33 6.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.35 103.01 4.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.59 165.05 37.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.8 m -136.54 174.19 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 95' ' ' CYS . 6.2 p -145.01 153.57 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.432 ' N ' HG23 ' A' ' 94' ' ' VAL . 1.7 m -75.04 137.46 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 48' ' ' ILE . 1.1 mt -85.12 -57.95 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -49.26 -39.04 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -36.92 85.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.452 HG13 ' CE2' ' A' ' 103' ' ' PHE . 82.6 t -74.81 -34.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.41 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 2.4 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.56 -48.99 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 106' ' ' LEU . 1.8 t80 -53.07 -46.05 68.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.593 ' CD1' ' OH ' ' A' ' 60' ' ' TYR . 28.2 m-85 -67.65 -32.9 73.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.3 t -59.07 -41.13 87.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -37.59 67.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -52.59 -62.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.11 -31.42 71.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.42 -51.88 25.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.13 64.91 0.41 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.32 149.74 38.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.2 42.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -22.84 60.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.4 t0 177.87 113.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 177.39 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.453 HD22 ' CH2' ' A' ' 117' ' ' TRP . 1.9 mp -50.23 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.62 129.09 13.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.453 ' CH2' HD22 ' A' ' 115' ' ' LEU . 6.3 m95 -108.29 73.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 2' ' ' ALA . 10.0 ttp . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.474 0.178 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 40.12 36.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -174.54 -121.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 171.29 148.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.52 46.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.68 -75.97 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' CG1' ' A' ' 8' ' ' ILE . 22.0 mt 63.16 40.62 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 12' ' ' ASP . 2.5 pt 40.7 45.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER 53.38 171.3 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.23 -50.6 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.476 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 4.9 m-20 -75.7 -48.8 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -63.39 -57.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -54.37 -56.35 19.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -54.16 25.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.75 -59.32 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -49.9 -57.52 7.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.463 ' CE1' ' HG3' ' A' ' 15' ' ' GLN . 4.4 m-30 -54.42 -40.08 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 23' ' ' SER . 35.6 ttm -67.32 -45.46 76.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -53.19 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.79 -29.48 64.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.5 OUTLIER -83.64 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -146.48 18.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -98.05 169.35 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -105.17 142.78 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.85 -28.65 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 p -65.85 -22.71 66.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -42.19 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t -73.24 -32.71 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -53.88 50.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -33.28 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.4 mt -63.8 -36.77 85.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 6.1 m-85 -80.98 -13.59 58.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.95 -57.55 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -116.0 -32.46 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.62 -174.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.13 -34.52 77.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.57 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 34.1 mmt -57.53 -15.47 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.5 -2.7 30.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -30.23 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -113.61 38.04 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 t -123.38 139.77 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -101.91 100.35 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.83 -102.58 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.97 17.28 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.13 134.93 44.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -116.54 148.69 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' O ' ' CD1' ' A' ' 48' ' ' ILE . . . -88.34 -179.2 46.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -69.86 -27.42 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 0.794 . . . . 0.0 110.951 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -47.11 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.87 -34.12 86.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.048 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' N ' HD13 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -61.57 -28.31 69.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -55.15 -47.0 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -28.63 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.513 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 18.1 t80 -57.72 -48.87 78.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 4.5 mt -55.72 -22.0 21.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -69.37 -59.98 2.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.9 mt -72.11 -43.49 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -39.73 -72.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.21 -1.1 57.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER 67.52 7.98 5.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -54.57 162.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.13 -9.79 23.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.86 116.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -100.83 147.82 34.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.41 11.44 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.788 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -32.38 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -53.43 -46.31 69.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 2.5 tp -72.14 -46.19 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -26.01 55.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.93 -49.05 26.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.81 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 57' ' ' LEU . 4.2 mt -54.85 -44.72 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -72.67 -39.06 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -66.94 -26.1 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -62.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -175.18 157.87 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -49.32 -22.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' HIS . . . 98.58 -51.65 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' GLY . 55.6 m80 -40.01 129.3 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -176.24 158.29 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 83' ' ' CYS . 2.6 mm? 67.19 102.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.02 101.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.65 133.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 t -100.88 17.7 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -125.85 48.13 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -118.46 38.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 t -102.5 -9.66 20.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HD3' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -121.42 101.64 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -90.38 90.42 8.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.471 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 19.2 m -143.51 171.86 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.2 155.11 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 138.67 42.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.38 -32.7 64.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -65.84 -32.75 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.27 -39.65 62.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 103' ' ' PHE . 45.7 t -74.77 -29.56 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -65.8 -22.39 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.17 -54.98 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 108.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -54.05 -45.15 71.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.44 ' CD2' HG13 ' A' ' 99' ' ' VAL . 2.5 m-85 -66.73 -30.5 70.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' GLY . 31.6 t -63.8 -26.45 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -35.88 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -62.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 108' ' ' GLY . 11.2 pt-20 -51.84 -38.53 56.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' A' ' 107' ' ' GLU . . . 125.44 67.16 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 104' ' ' SER . . . -135.81 61.16 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -60.72 149.24 80.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.45 43.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -25.58 33.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 t0 175.62 110.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -82.92 163.3 21.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.96 176.66 5.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -146.06 128.6 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -106.94 72.69 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.6 mtm . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.512 0.196 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.43 47.11 1.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -76.97 -124.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 68.32 142.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -144.85 48.63 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.06 110.22 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.7 155.84 38.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 12' ' ' ASP . 15.2 pt -89.76 13.63 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.7 172.51 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -50.17 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -75.47 -41.42 55.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.62 -34.68 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -56.92 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.6 tp60 -51.71 -56.22 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.75 -42.74 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -58.08 -58.17 9.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -53.53 -57.92 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 8.9 m-85 -53.66 -41.27 66.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.6 ttm -69.5 -40.15 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -50.75 -34.52 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -41.07 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.88 143.24 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.5 p -135.86 11.26 3.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -81.4 -178.88 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -105.08 143.15 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.87 -26.51 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -34.8 73.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -76.07 -30.59 58.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 60' ' ' TYR . 67.4 t -71.93 -37.0 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.6 mt -70.9 -30.84 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -25.33 63.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 10.1 mt -73.88 -32.76 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 37.8 m-85 -81.39 -14.67 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.7 pt-20 -83.28 -47.52 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -129.44 -34.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -49.82 -178.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -36.29 77.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.572 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -58.65 -14.32 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.63 -2.65 27.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -77.24 -21.65 53.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -122.45 51.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.7 t -133.35 131.64 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -104.36 81.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.368 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.28 -98.15 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.47 11.4 9.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.36 134.63 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.458 ' CD1' ' HA3' ' A' ' 52' ' ' GLY . 19.8 tt -117.19 156.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -172.7 42.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CE2' ' NH1' ' A' ' 68' ' ' ARG . 7.9 t80 -62.76 -52.07 64.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.62 -39.38 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 48' ' ' ILE . . . -81.04 -38.84 14.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -65.41 -40.51 93.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.769 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -28.96 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.763 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 5.4 t80 -57.16 -45.25 83.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 1.1 mp -54.73 -22.35 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 45.5 tttt -68.62 -59.16 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.479 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 44.2 mt -73.03 -47.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.763 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 2.3 t80 -40.25 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -85.8 -10.73 54.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.8 mt-10 73.75 2.99 4.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 19' ' ' TYR . 1.5 m -50.74 152.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.17 -10.71 54.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.04 117.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -95.22 147.34 32.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 130.55 13.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.751 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' NH1' ' CE2' ' A' ' 50' ' ' TYR . 1.8 ttt-85 -62.34 -32.06 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -54.71 -44.74 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.58 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.418 HD22 ' CD2' ' A' ' 57' ' ' LEU . 2.5 tp -68.02 -46.55 70.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -27.04 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.02 -49.1 39.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.88 -31.48 68.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 7.0 mt -61.31 -40.9 95.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -74.16 -42.03 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -52.0 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -89.3 169.23 11.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -177.21 146.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 81' ' ' GLY . 8.9 t -131.27 -138.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.431 ' N ' ' OG1' ' A' ' 80' ' ' THR . . . 58.4 109.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -60.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 73.11 27.32 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 108.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -121.94 40.97 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -165.15 101.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 70.37 135.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 53.8 m -83.08 49.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -128.9 89.02 2.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.24 39.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.4 t -65.09 -10.61 31.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -107.92 85.02 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.19 116.99 27.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.38 171.19 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 p -148.68 154.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.4 m -74.96 134.93 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mt -82.0 -48.33 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -52.41 -39.44 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.17 -38.68 88.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.502 HG11 ' CE2' ' A' ' 103' ' ' PHE . 92.9 t -72.55 -37.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.9 t -71.45 -47.0 58.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -55.85 -48.84 74.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.679 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 14.6 m-85 -65.46 -37.15 86.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 t -59.02 -37.36 76.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -72.81 -35.21 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -66.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.83 -33.52 75.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.45 -3.87 86.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . -132.73 38.68 1.84 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -64.16 118.2 44.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 153.76 41.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -118.73 -36.57 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.26 69.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 115' ' ' LEU . 12.8 mtmt -67.27 165.01 17.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -37.38 153.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -138.46 121.06 16.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -107.96 72.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.538 0.209 . . . . 0.0 110.975 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.17 34.5 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -172.94 -124.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 163.77 154.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.428 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER 65.26 133.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.69 16.41 52.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -75.75 -178.72 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.459 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 4.0 pt -73.31 120.82 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -51.71 179.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.01 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -51.3 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' CD1' ' A' ' 70' ' ' LEU . 21.6 t70 -75.47 -34.97 60.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.14 -45.11 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.71 -40.61 69.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.642 ' NE2' ' CD1' ' A' ' 19' ' ' TYR . 3.6 tp60 -70.76 -49.7 43.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' CD1' HD13 ' A' ' 61' ' ' LEU . 5.4 tp -59.59 -43.37 93.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.54 -44.77 89.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -62.3 -43.27 99.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.642 ' CD1' ' NE2' ' A' ' 15' ' ' GLN . 2.2 m-85 -71.97 -55.32 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.28 -20.81 57.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 mm-40 -65.57 -46.04 80.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.61 -42.34 96.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 169.9 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.01 23.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -78.48 179.03 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -105.25 135.81 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.28 -24.1 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -22.7 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.38 -45.73 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -72.26 -31.89 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 7.2 pttp -58.47 -31.55 67.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.506 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 5.2 mt -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 14.1 m-85 -81.33 -13.72 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.47 -57.55 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.75 -32.45 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.02 -170.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.06 -32.75 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.572 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 29.6 mmt -56.24 -16.54 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -75.38 -2.77 30.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.53 -13.13 62.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -128.23 49.52 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.1 t -139.98 129.16 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.62 116.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 60.62 30.82 73.1 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 3.9 t70 82.52 -4.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.3 134.84 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 94' ' ' VAL . 9.9 tt -107.8 156.05 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.81 -174.24 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CD1' ' CG ' ' A' ' 75' ' ' PHE . 4.4 t80 -80.79 -34.03 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -44.88 67.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.45 -40.24 68.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.67 -26.59 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.01 -43.69 82.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.235 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 56' ' ' PHE . 1.5 pt20 -74.25 -22.93 59.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.241 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.475 ' CE1' ' CG ' ' A' ' 60' ' ' TYR . 19.9 t80 -68.28 -48.57 64.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 74' ' ' LEU . 3.8 mt -54.88 -23.43 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -66.57 -59.55 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.0 mp -72.61 -48.15 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.605 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 6.5 t80 -49.03 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' CB ' HG22 ' A' ' 63' ' ' VAL . 8.2 mt -71.0 -7.42 46.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.7 OUTLIER 66.01 9.9 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.438 HG22 ' CB ' ' A' ' 61' ' ' LEU . 1.8 m -71.48 149.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -91.14 -13.91 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -163.26 103.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.41 ' CG2' HG21 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -93.74 147.88 34.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.7 16.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 69' ' ' HIS . 4.5 ptt180 -63.35 -26.8 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.421 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 3.5 t-160 -59.04 -45.78 89.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.594 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 3.0 tp -72.01 -43.54 64.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -56.82 -41.44 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.38 -49.27 77.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.425 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . . . -67.62 -30.33 69.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD1' ' HG ' ' A' ' 70' ' ' LEU . 6.4 mt -67.41 -44.7 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 29.5 t80 -75.0 -53.87 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -52.63 -20.89 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 8.4 t -44.96 -50.75 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 1' ' ' MET . 2.9 m-85 -152.07 -175.29 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' C ' ' CG2' ' A' ' 80' ' ' THR . 16.9 tt0 -171.22 168.8 6.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.424 ' CG2' ' C ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER 173.19 132.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -139.71 -146.77 4.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -151.26 60.43 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 109.605 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 11.8 t -160.27 134.28 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 108.273 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -125.84 42.5 3.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -150.27 165.05 34.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 77.27 130.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -83.06 6.94 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.386 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -107.5 72.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.9 t -100.91 38.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 t -88.88 -6.07 57.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.372 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.17 104.97 8.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -141.68 -177.48 5.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.74 175.3 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 95' ' ' CYS . 87.1 t -133.78 150.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.423 ' N ' HG12 ' A' ' 94' ' ' VAL . 38.9 t -75.69 137.74 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.312 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -50.99 6.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -52.85 -39.88 62.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.84 -54.52 46.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.645 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 68.4 t -61.77 -38.0 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.4 t -61.55 -23.24 65.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -41.48 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.459 ' OH ' ' CD1' ' A' ' 8' ' ' ILE . 44.4 t80 -64.16 -55.79 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.645 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 13.3 m-85 -58.61 -25.89 63.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.1 t -61.8 -40.74 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -30.39 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 102' ' ' TYR . 1.1 mp -58.42 -64.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -37.41 84.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.19 -67.23 2.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.65 85.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.73 99.96 40.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.38 2.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 179.75 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 51.7 t0 45.2 35.68 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 165.41 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.15 177.53 7.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.87 129.13 13.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 m0 -92.36 -114.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mmm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.5 0.191 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.09 63.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -83.94 -126.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -155.04 -156.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 68.55 120.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.42 106.81 2.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mp -142.28 135.94 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.415 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 10.6 pt -117.94 123.73 72.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.537 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -49.81 -179.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -48.52 14.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -37.78 60.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.91 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -57.61 -57.33 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -54.99 -55.58 29.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.65 -41.85 70.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.86 -60.35 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -51.43 -59.01 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.429 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -51.41 -53.65 34.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 91.9 mtp -57.41 -47.71 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -44.85 -37.59 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.335 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -36.98 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.18 158.61 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -137.39 14.25 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -175.4 3.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -134.76 141.65 46.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.432 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 13.1 p -71.48 -31.25 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -63.3 -42.04 99.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.042 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.82 -38.78 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.2 t -59.85 -37.28 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD2' HD22 ' A' ' 96' ' ' LEU . 41.2 mt -60.72 -24.3 65.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -58.58 -25.52 62.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.619 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 3.1 mt -82.51 -27.66 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 39' ' ' MET . 30.4 m-85 -76.68 -11.49 59.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 10.9 pt-20 -103.33 -45.29 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -114.97 -33.02 5.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.619 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -62.78 155.28 41.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.45 -22.47 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.567 ' HG2' ' CE1' ' A' ' 34' ' ' PHE . 16.1 tpp -62.12 -12.07 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.28 -2.37 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -73.95 -30.4 62.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -105.07 33.24 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.3 t -125.53 128.6 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -97.27 95.99 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 -95.99 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -122.22 22.1 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.19 178.09 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.423 ' CD1' ' HA3' ' A' ' 52' ' ' GLY . 15.1 tt -145.31 152.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.07 -175.43 50.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -70.89 -40.11 72.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.07 -17.34 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' HA3' ' CD1' ' A' ' 48' ' ' ILE . . . -74.82 -24.0 73.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -69.79 -51.65 32.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -75.22 -24.0 57.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.67 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 3.3 t80 -75.45 -46.08 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.575 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -54.59 -21.89 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 7.7 tttm -68.42 -59.45 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.41 ' CD1' ' HE3' ' A' ' 39' ' ' MET . 19.3 mt -73.85 -45.33 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.67 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 3.9 t80 -39.69 -64.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -91.12 -7.69 50.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.53 4.02 4.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 1.1 m -51.12 158.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 12.1 t70 -96.68 -9.2 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.43 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -170.57 116.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -101.88 147.9 34.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.24 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -30.56 64.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -53.09 -51.1 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.09 -46.47 64.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -56.39 -26.36 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.84 -49.07 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.27 -34.48 68.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.575 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 4.8 mt -56.18 -41.66 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.47 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . 21.2 t80 -71.68 -36.54 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.19 -41.03 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -45.63 -63.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -120.34 129.72 54.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HG3' ' CE1' ' A' ' 75' ' ' PHE . 4.8 tt0 -131.46 -151.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.0 m -70.5 -11.85 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.63 38.91 67.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -141.81 -98.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.777 . . . . 0.0 109.622 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 62.27 37.85 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.102 . . . . 0.0 108.259 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.66 38.8 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 49.83 89.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.66 23.73 5.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.8 m 38.5 49.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -148.73 79.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.2 t -128.65 38.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.2 t -105.6 -9.77 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.35 77.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -86.02 123.03 30.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 m -107.38 139.14 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -121.11 133.42 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.4 t -64.24 130.14 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.466 HD22 ' CD2' ' A' ' 31' ' ' LEU . 3.9 mt -70.04 -44.21 69.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -50.19 -34.12 21.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.472 ' OD1' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -70.32 -37.94 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.41 -38.69 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 104' ' ' SER . 12.0 t -56.11 -23.6 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 109.982 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.7 -51.79 10.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.415 ' OH ' ' CD1' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -53.12 -54.99 27.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.466 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.48 -33.07 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 100' ' ' SER . 2.2 t -59.02 -29.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.7 -41.82 59.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.12 -57.74 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -56.79 -41.69 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 39.41 68.33 0.52 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -85.56 44.7 3.39 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 111.29 21.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.18 41.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -178.05 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.4 t0 178.53 97.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.78 165.57 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 176.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.586 ' O ' ' CD1' ' A' ' 117' ' ' TRP . 3.4 mm-40 -104.92 -149.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -173.79 -94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 107.979 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 mmm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.502 0.191 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.13 46.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 -121.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 169.12 156.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 79' ' ' GLU . 1.3 ptt180 178.75 146.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.62 109.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mp -117.36 118.56 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 pt -95.01 116.27 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.74 179.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -50.93 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.1 -35.03 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -72.01 -36.37 69.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -69.77 -38.78 76.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.596 ' OE1' ' CD2' ' A' ' 19' ' ' TYR . 2.7 tp-100 -63.46 -52.84 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 tp -58.63 -48.55 80.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -63.94 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.03 -52.74 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.596 ' CD2' ' OE1' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -63.29 -51.5 65.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.423 ' N ' HD21 ' A' ' 61' ' ' LEU . 2.9 ppp? -61.61 -24.02 66.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -65.29 -53.87 37.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.49 -44.15 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.23 163.28 25.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -126.31 17.46 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -176.88 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -134.97 147.5 49.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.7 -30.99 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -75.96 -47.68 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.445 HG12 ' CE1' ' A' ' 56' ' ' PHE . 91.1 t -56.9 -35.24 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 13.2 mt -71.27 -37.13 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.6 -22.15 55.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.2 mt -77.69 -33.69 53.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.517 ' CG ' ' HB3' ' A' ' 39' ' ' MET . 7.3 m-85 -80.55 -13.83 58.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.34 -57.72 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 -32.45 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -50.8 -176.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.41 -29.36 67.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.517 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -56.83 -16.5 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.28 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 16.3 ptpt -67.89 -35.32 78.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 21.6 m-30 -110.4 41.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 44' ' ' GLN . 81.2 t -123.24 141.7 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' N ' HG13 ' A' ' 43' ' ' VAL . 17.0 mt-30 -113.64 80.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.69 -97.74 1.86 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -123.78 1.47 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.25 144.92 31.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CG1' HG12 ' A' ' 94' ' ' VAL . 11.4 pt -109.97 158.6 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 156.25 21.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -59.68 -36.52 76.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -72.54 -48.52 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.6 -39.08 65.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 74' ' ' LEU . 9.7 t80 -55.84 -26.85 48.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.05 -31.41 72.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -34.37 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 65.6 t80 -56.19 -43.49 78.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -59.96 -22.25 62.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -70.04 -59.49 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.52 -47.87 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 3.6 t80 -40.69 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -80.04 -4.17 51.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 65.77 10.51 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -62.56 160.6 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 11.2 t70 -102.32 -9.32 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -165.72 112.94 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -99.64 147.65 33.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.98 26.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -71.45 -29.36 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -56.56 -49.59 74.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.63 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 tp -71.65 -46.46 58.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -32.04 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.73 -48.9 57.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.465 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . . . -70.35 -27.02 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.516 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 6.2 mt -67.32 -30.07 69.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.455 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.3 t80 -74.35 -55.27 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.465 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 5.3 pt20 -62.55 -23.49 67.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 t -50.82 -28.07 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 98' ' ' ASP . 2.8 m-85 -143.71 162.8 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' NH2' ' A' ' 5' ' ' ARG . 1.3 tt0 179.36 165.1 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.4 p -119.71 -138.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.67 91.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -66.04 -78.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 109.633 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.27 148.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 108.285 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -93.45 55.31 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 61.76 68.79 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -141.89 -149.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.9 m -135.12 44.16 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -135.12 91.99 2.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.1 t -121.64 38.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 91' ' ' LYS . 3.3 t -89.97 172.27 8.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 90' ' ' THR . 0.2 OUTLIER 38.91 74.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.04 96.64 9.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.7 m -108.03 173.57 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.464 HG12 ' CG1' ' A' ' 48' ' ' ILE . 2.5 p -148.03 152.22 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.95 137.41 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -50.7 49.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.25 -42.76 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.9 m-20 -58.18 -41.18 83.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.64 -35.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.415 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 22.7 t -68.81 -26.45 65.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -37.23 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -73.04 -48.86 32.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 5.3 m-85 -67.87 -26.1 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 t -64.82 -25.02 67.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.05 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.44 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -29.18 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -39.28 -50.96 2.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.6 55.73 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -105.29 107.05 58.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.65 42.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 179.62 -36.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -162.72 110.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.355 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 176.46 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.24 176.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.461 ' C ' ' N ' ' A' ' 118' ' ' SER . 2.1 mt-10 -104.15 -148.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.601 ' CG ' ' O ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER 40.56 30.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 107.979 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.461 ' N ' ' C ' ' A' ' 116' ' ' GLU . 58.5 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.497 0.189 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.07 43.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.95 -120.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 102.84 4.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.53 178.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.61 80.2 1.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 mt -77.86 64.88 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 pt -90.79 117.1 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -50.13 179.46 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.038 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -0.1 9.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -48.29 14.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -35.49 62.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -45.32 80.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.91 15.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.57 -53.9 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 20' ' ' MET . 5.3 tp -58.13 -41.73 84.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -56.69 -55.44 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -59.16 -59.02 6.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.467 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.8 m-85 -51.58 -53.6 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 27.1 mmm -52.92 -49.24 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -40.93 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -39.31 69.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -78.17 136.33 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -132.37 18.02 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -179.74 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -105.09 146.87 28.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.96 -34.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -65.45 -32.78 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.09 -40.46 68.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -72.34 -37.78 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 mt -66.94 -25.54 66.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -58.98 -25.77 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.1 mt -73.43 -31.95 64.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 56' ' ' PHE . 52.3 m-85 -80.83 -14.1 58.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.93 -57.57 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.02 -32.09 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.22 -172.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.35 -18.2 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.443 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . 34.7 mmm -71.74 -3.76 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.81 -2.5 43.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -15.98 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -110.84 26.69 10.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.9 t -112.39 136.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 47' ' ' ALA . 3.8 mt-30 -131.64 122.97 26.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' ALA . . . 41.8 69.21 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.76 24.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 44' ' ' GLN . . . -129.79 175.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' VAL . 9.1 tt -138.91 150.9 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.98 -170.98 29.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.75 -57.01 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -35.39 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.42 -28.82 59.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -52.71 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -31.49 71.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -74.63 -38.58 62.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 60' ' ' TYR . 1.6 t80 -56.88 -45.06 82.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.52 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -55.09 -22.38 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -59.47 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.7 mt -72.49 -46.76 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 28.0 t80 -46.41 -65.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 1.4 mp -85.67 8.91 17.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.1 28.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 61' ' ' LEU . 11.9 m -77.21 167.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.62 -5.52 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.3 117.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.29 147.6 34.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.59 8.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -32.92 70.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -43.64 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.557 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.43 -48.49 33.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -24.16 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.18 -49.14 20.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 77' ' ' SER . . . -72.82 -33.01 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.52 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 4.0 mt -53.19 -50.8 63.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -74.1 -41.26 61.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -24.48 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' ALA . 32.0 p -73.47 -35.92 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -88.21 -85.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 46.34 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -40.46 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.429 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' N ' ' OG1' ' A' ' 80' ' ' THR . . . 79.72 143.85 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.04 142.12 24.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.552 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.8 136.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.281 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.19 32.62 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -170.45 85.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.71 134.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.1 p -93.23 65.46 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -153.56 58.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.6 t -115.15 38.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.272 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 t -91.17 -9.41 45.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.18 79.8 2.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -73.38 84.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.0 m -142.17 168.53 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ILE . 93.3 t -148.5 152.66 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 98' ' ' ASP . 36.5 t -75.41 133.91 41.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.77 -44.37 18.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -61.26 -33.82 74.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' CB ' ' HB3' ' A' ' 95' ' ' CYS . 12.6 t70 -68.31 -41.57 80.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.41 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 96.2 t -71.94 -28.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -71.66 -26.77 62.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.7 t -76.3 -48.1 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.49 -53.56 54.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.589 ' CD1' ' OH ' ' A' ' 60' ' ' TYR . 1.8 m-85 -58.9 -33.84 71.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 t -59.65 -37.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.35 -50.97 26.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.416 ' HB3' ' CE ' ' A' ' 20' ' ' MET . 0.7 OUTLIER -49.75 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -40.77 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.83 -72.77 0.49 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.45 76.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.88 95.72 34.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.29 14.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -178.07 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.96 102.53 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.64 4.99 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 115' ' ' LEU . 5.3 mt -49.48 171.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 115' ' ' LEU . 3.5 mm-40 -139.02 145.12 39.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -133.48 -111.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.029 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 mtm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.455 0.169 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.05 72.5 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -68.43 -122.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.37 -170.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -179.55 36.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' LEU . . . -169.44 -133.18 1.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 61.55 122.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 0.814 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.469 ' CG1' ' HB3' ' A' ' 12' ' ' ASP . 24.6 pt 41.37 28.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 56.45 170.28 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.047 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.3 -50.15 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -75.61 -38.13 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 5.7 t80 -62.9 -36.16 82.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.49 -56.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.36 -56.42 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.54 -44.41 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 15.0 tt0 -61.7 -62.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -48.76 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.538 ' CD2' HG12 ' A' ' 63' ' ' VAL . 3.3 m-85 -64.46 -54.03 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.6 mtp -53.65 -49.65 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -24.43 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.64 140.26 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -120.51 15.85 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -94.05 -176.71 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -134.77 142.03 46.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.51 -33.69 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -65.48 -26.29 67.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -76.16 -48.12 21.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -67.29 -29.81 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -54.51 45.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 5.8 pttt -58.74 -28.48 65.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.5 mt -67.91 -38.24 82.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 0.8 OUTLIER -81.17 -13.46 58.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -84.94 -57.69 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -32.41 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.235 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.13 -175.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.58 -23.09 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.559 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -67.83 -7.01 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.69 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -111.82 37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.0 t -124.15 129.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' ALA . 11.0 mt-30 -118.9 123.65 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.29 44.93 52.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.92 19.34 11.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -124.87 174.44 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -137.59 149.2 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 48' ' ' ILE . . . -102.06 -177.64 27.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -69.93 -30.37 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.16 -55.58 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.52 -37.78 61.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CE2' HD11 ' A' ' 57' ' ' LEU . 38.8 t80 -57.08 -26.33 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 111.051 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.61 -43.32 89.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.514 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.36 -21.94 59.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.509 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 57.3 t80 -70.86 -45.77 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 53' ' ' PHE . 7.9 mt -60.35 -23.53 64.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 18.8 tttm -66.5 -60.07 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 55' ' ' GLN . 4.7 mp -73.24 -48.46 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 8.9 t80 -47.72 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 9.0 mt -76.37 -1.91 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.37 16.85 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.538 HG12 ' CD2' ' A' ' 19' ' ' TYR . 2.8 m -76.15 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.01 -11.12 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.26 115.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -98.37 147.38 33.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.3 22.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -29.97 68.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.01 -42.46 80.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 3.8 tp -73.57 -41.93 62.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -30.52 62.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.2 -47.31 51.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.88 -36.08 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.479 ' CD1' ' HG ' ' A' ' 70' ' ' LEU . 3.8 mt -52.84 -51.92 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -53.13 -24.23 9.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 t -63.56 -53.18 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.85 143.92 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -164.93 106.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -23.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.64 -74.54 0.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 44.28 41.68 4.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.577 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -164.62 130.67 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 108.319 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -127.69 42.19 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -175.02 69.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -140.33 -150.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 87' ' ' THR . 3.8 m -143.61 43.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -158.52 48.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.6 t -113.93 38.97 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 t -110.0 -10.24 14.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.73 78.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -61.84 86.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.39 176.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.9 p -162.03 157.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.4 t -74.9 135.38 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -43.66 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.64 -32.94 70.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.89 -40.29 91.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.1 -32.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -73.6 -22.6 59.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.11 -47.24 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 108.261 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.423 ' CE1' HD22 ' A' ' 106' ' ' LEU . 1.8 t80 -61.88 -54.12 46.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.57 -33.94 70.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.9 t -59.11 -30.33 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 110' ' ' ARG . 3.1 mt -74.48 -36.02 63.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.423 HD22 ' CE1' ' A' ' 102' ' ' TYR . 1.1 mm? -59.92 -45.46 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -53.54 -51.13 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 138.32 68.17 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -120.28 -110.02 2.25 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 105' ' ' LEU . 4.8 mtt-85 -119.92 136.73 25.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.73 42.19 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -149.15 -45.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -78.93 68.02 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -77.04 -163.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.406 ' C ' ' CG ' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -53.8 160.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -152.35 132.26 13.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -91.92 -111.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.037 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.507 0.194 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 40.2 42.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 4' ' ' GLU . 4.3 tptp -84.91 -127.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 56.61 113.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.01 139.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 59.1 14.54 25.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -47.09 132.57 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' HB ' ' CB ' ' A' ' 12' ' ' ASP . 6.4 pt -116.9 37.57 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER 53.38 170.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.0 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -79.42 -52.05 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.487 ' CB ' ' HB ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -76.6 -39.54 52.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 9.6 t80 -63.66 -39.08 93.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -62.24 -55.82 24.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -53.39 -55.99 20.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.64 -50.09 75.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -55.44 -44.85 76.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 7.1 tttt -68.82 -59.15 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 15' ' ' GLN . 5.3 m-85 -48.53 -31.24 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' SER . 10.0 tpp -77.39 -38.71 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -40.57 -33.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.525 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -86.51 -36.96 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -74.87 123.81 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 t -125.89 16.92 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.26 -179.49 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -104.92 140.27 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.21 -22.93 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -70.04 -24.47 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -45.44 55.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.6 t -70.53 -27.52 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -58.49 -56.03 27.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -58.88 -34.98 72.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -56.19 -43.81 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 12.0 m-85 -81.89 -13.76 57.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.7 mm-40 -85.15 -57.87 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -113.93 -32.44 6.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -60.24 157.98 27.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -46.56 -28.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.478 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 8.7 mmt -56.88 -16.55 6.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -77.19 -2.5 34.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -27.22 67.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -109.61 31.27 5.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.7 t -124.27 129.41 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.44 131.35 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.39 -98.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -135.34 19.3 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.83 170.27 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 tt -131.18 157.59 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.2 -175.18 42.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 26.2 t80 -78.96 -25.64 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.42 67.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.3 -40.84 98.24 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -54.74 -27.88 44.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.51 -61.04 2.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.24 -28.24 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 16.7 t80 -58.41 -51.44 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.469 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 4.2 mt -54.72 -22.33 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -66.65 -59.06 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.6 -47.97 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.74 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 8.8 t80 -49.25 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.09 -8.89 49.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.67 32.85 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 19' ' ' TYR . 1.8 m -97.06 161.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.459 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 23.2 t0 -97.36 -14.09 21.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -163.53 106.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.02 148.7 35.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 128.62 11.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -35.27 74.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -38.83 62.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 tp -74.21 -46.19 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 p -57.44 -30.52 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 tp -70.17 -49.22 52.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.27 -33.11 71.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 5.4 mt -54.71 -43.37 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 50' ' ' TYR . 3.6 t80 -68.61 -48.29 64.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.36 -46.19 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 t -45.97 -60.29 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -121.48 126.89 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.506 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -154.73 125.54 7.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.07 -21.81 18.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.88 85.21 1.09 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.87 -175.21 3.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.569 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -127.22 90.56 3.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 108.286 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -97.82 43.09 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 86' ' ' GLU . 0.2 OUTLIER 71.56 93.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' ASN . 3.5 mm-40 35.53 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.3 m -119.45 30.34 7.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.4 t30 61.33 42.31 11.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.63 96.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -123.13 -2.24 8.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.51 91.57 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -60.1 90.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.5 m -118.02 171.15 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.15 153.46 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 98' ' ' ASP . 1.2 m -74.93 136.53 41.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 108.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -54.3 10.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -55.07 -31.64 61.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' HB2' ' CB ' ' A' ' 95' ' ' CYS . 0.4 OUTLIER -65.82 -43.61 88.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.73 -32.31 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.433 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 22.6 t -66.04 -24.12 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.2 t -77.0 -50.68 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 108.34 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.429 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 27.9 t80 -60.77 -54.35 46.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.74 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-30 -58.29 -33.27 69.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.5 t -58.97 -35.09 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -36.66 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.56 -34.62 62.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 102.8 86.78 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.2 47.84 0.28 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -102.37 125.58 35.81 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.551 0.795 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.15 41.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -17.63 62.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.7 t70 40.4 38.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -50.52 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.89 176.83 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.442 ' N ' ' OE2' ' A' ' 116' ' ' GLU . 0.2 OUTLIER -142.8 127.52 18.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -92.29 -111.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.532 0.206 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.51 73.5 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -127.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.7 155.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -137.35 108.2 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.03 -9.51 5.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' ILE . 1.9 mm? -94.13 175.09 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' LEU . 15.1 tt 37.83 89.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.418 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -48.02 173.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.93 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -39.73 63.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -50.32 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CZ ' HD22 ' A' ' 106' ' ' LEU . 0.6 OUTLIER -52.94 -40.75 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.0 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.36 96.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' OE1' ' CD1' ' A' ' 19' ' ' TYR . 2.8 tp60 -70.84 -52.68 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -52.38 -45.28 65.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -56.26 -63.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.19 -53.22 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.591 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 1.8 m-85 -57.71 -42.79 84.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 mtp -61.68 -44.92 96.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -53.85 5.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -39.62 68.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 134.17 41.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -117.02 20.42 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -97.7 164.1 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 4.9 mmtm -105.09 146.01 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.61 -23.36 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -65.95 -32.52 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.28 -41.4 70.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 HG13 ' CE1' ' A' ' 56' ' ' PHE . 54.4 t -74.18 -25.52 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -63.65 -54.89 28.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -58.2 -31.35 67.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.1 mt -59.71 -45.16 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 15.0 m-85 -81.54 -13.67 57.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.3 mm-40 -84.03 -57.74 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -115.95 -32.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -54.9 176.19 0.5 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.42 -21.5 66.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.48 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 33.8 mmt -66.24 -8.52 25.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.61 -2.19 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.2 -12.07 59.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.564 ' CD1' ' HA2' ' A' ' 52' ' ' GLY . 12.7 m-85 -108.29 18.54 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -119.62 128.42 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -123.04 125.8 45.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.79 31.57 46.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.504 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 1.4 t0 80.43 -1.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 93' ' ' VAL . . . -106.68 130.1 54.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 tt -92.85 150.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.8 165.21 29.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.66 -37.89 83.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 1.4 tt0 -68.12 -46.58 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.564 ' HA2' ' CD1' ' A' ' 42' ' ' TYR . . . -56.54 -38.34 80.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -56.76 -27.62 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 3.5 mm-40 -61.45 -59.57 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.457 ' CD ' ' CD2' ' A' ' 42' ' ' TYR . 5.3 pt20 -57.16 -23.83 50.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 1.9 t80 -66.35 -50.83 62.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 3.7 mt -63.95 -22.63 67.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.9 tttm -68.07 -59.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.464 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 50.3 mt -71.83 -48.48 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 15.3 t80 -45.6 -68.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.53 -13.58 60.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.82 4.91 5.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.03 158.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -86.94 -14.06 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.51 116.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -87.32 148.44 44.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.51 15.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -61.27 -32.51 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -53.31 -49.08 67.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.65 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.6 tp -74.74 -46.62 36.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.17 -25.24 58.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' ARG . 6.2 tp -75.1 -49.18 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.71 -26.99 62.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 57' ' ' LEU . 5.8 mt -60.5 -40.64 92.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.35 -40.73 77.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.1 -20.58 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -68.68 73.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 36.8 t80 60.74 166.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.451 ' HA ' ' CG2' ' A' ' 94' ' ' VAL . 14.5 mp0 -139.39 -172.96 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.42 ' N ' ' HA ' ' A' ' 94' ' ' VAL . 6.0 t -51.35 -33.35 29.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.17 -178.73 32.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.67 -91.85 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 0.0 109.567 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 m 63.43 43.38 6.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 108.357 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 84' ' ' LEU . 2.9 mm? -84.86 49.36 1.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 84' ' ' LEU . 3.0 m120 175.34 39.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.75 -149.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 87' ' ' THR . 3.5 m -146.55 43.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.45 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -139.07 66.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 91.4 t -113.65 38.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.3 t -96.51 -11.14 25.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.01 86.4 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.7 76.77 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.46 HG23 ' CB ' ' A' ' 47' ' ' ALA . 7.1 m -134.85 161.74 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 79' ' ' GLU . 90.4 t -131.58 149.08 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.44 97.29 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 46' ' ' ASP . 1.5 pt? -48.32 -24.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -74.47 -47.32 34.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -26.94 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.484 HG12 ' CD2' ' A' ' 103' ' ' PHE . 76.5 t -75.06 -30.76 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.402 ' CB ' HD21 ' A' ' 31' ' ' LEU . 9.4 t -59.77 -33.32 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.15 -54.71 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -38.27 59.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.484 ' CD2' HG12 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -74.12 -31.04 62.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.5 t -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -74.39 -37.1 63.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.454 HD22 ' CZ ' ' A' ' 13' ' ' PHE . 3.3 mm? -47.83 -51.37 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.411 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -57.5 -54.03 51.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.99 40.64 2.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . -83.33 48.4 4.03 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -60.52 125.57 82.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 159.22 41.74 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -108.71 -15.46 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -165.98 97.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 163.71 25.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.66 176.75 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 127.43 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -129.62 -114.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 107.994 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mmm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.504 0.193 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.11 46.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -89.98 -131.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -149.83 18.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -41.8 123.24 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.4 118.55 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 90.8 3.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' SER . 9.6 pt -53.33 118.61 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.86 179.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.957 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.0 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -49.04 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -38.02 61.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.1 -35.31 79.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.9 -56.32 18.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -51.71 -56.06 15.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -56.47 -40.12 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -58.91 -57.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -60.18 -52.0 67.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.491 ' CE1' ' HG3' ' A' ' 15' ' ' GLN . 4.5 m-85 -57.18 -37.71 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' SER . 40.2 ttm -71.84 -47.71 51.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -42.15 -50.98 4.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.09 -33.04 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -77.17 148.56 35.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -138.43 11.99 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -94.03 173.92 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -105.25 141.45 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' A' ' 60' ' ' TYR . 9.1 p -72.87 -33.59 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -29.19 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -32.56 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.94 -36.57 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.97 -35.11 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.64 -29.97 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.565 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 1.7 mt -80.93 -33.41 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -81.5 -13.65 57.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -87.39 -49.12 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 11.6 t70 -122.9 -34.0 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.565 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.45 165.64 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.32 -27.5 23.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.438 ' SD ' ' NE2' ' A' ' 55' ' ' GLN . 37.6 mmt -56.57 -17.29 8.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.96 -2.31 33.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -64.42 -28.85 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -105.69 35.34 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.5 t -128.11 128.68 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -118.91 122.94 43.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.55 33.98 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 12.2 t0 77.23 1.72 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.48 137.55 44.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 96' ' ' LEU . 8.9 tt -113.88 153.19 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.73 -171.15 43.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.3 t80 -74.55 -56.3 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -50.49 -47.2 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.01 -37.62 71.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.62 -28.04 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.92 -43.61 94.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' NE2' ' SD ' ' A' ' 39' ' ' MET . 10.7 tt0 -64.75 -32.32 73.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 22.5 t80 -60.51 -51.38 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.431 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.77 -22.23 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.4 tttt -67.92 -58.82 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.417 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 1.2 mp -75.04 -48.2 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.749 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 3.1 t80 -47.4 -66.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD2' ' HA ' ' A' ' 20' ' ' MET . 7.0 mt -79.19 -7.77 58.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.9 tm-20 64.57 11.25 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 m -71.09 151.72 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 26.9 t70 -89.11 -8.26 54.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -169.91 116.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.42 147.24 33.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.37 28.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -32.77 69.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -55.58 -44.64 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.635 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 2.2 tp -69.32 -48.89 60.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -23.29 57.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.6 -48.82 24.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.42 -34.28 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 70' ' ' LEU . 6.2 mt -55.09 -44.05 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' CE2' ' OE2' ' A' ' 79' ' ' GLU . 6.7 t80 -73.49 -47.56 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.29 -22.0 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.3 t -66.72 -68.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -120.24 151.76 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -141.02 -152.31 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.23 -16.21 50.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.57 -174.49 23.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -58.42 -79.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.548 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m 56.92 39.48 29.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' N ' HD21 ' A' ' 84' ' ' LEU . 2.1 mm? -82.1 51.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 170.52 88.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 175.91 135.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 m -114.98 54.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -158.31 51.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.56 95.85 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.2 t -122.6 -3.0 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -120.23 78.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 93.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.4 156.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.3 151.77 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 97' ' ' ASN . 4.9 t -74.46 94.22 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 46' ' ' ASP . 1.3 pt? -48.58 -22.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 95' ' ' CYS . 12.6 t30 -66.77 -50.7 61.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.59 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 9.9 t70 -55.31 -29.88 59.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.25 -38.16 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -59.23 -26.37 64.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -77.14 -55.87 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.2 -40.45 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.749 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 m-30 -72.73 -37.7 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 t -59.66 -36.52 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.28 -44.71 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HB3' ' CE ' ' A' ' 20' ' ' MET . 4.2 mp -48.1 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.62 -44.36 74.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -40.53 -38.09 1.39 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -94.73 48.45 2.05 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 147.87 39.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.19 41.37 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -97.79 -17.63 19.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.2 t70 40.38 49.49 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -50.76 179.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.68 158.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -151.25 130.87 13.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -71.12 -112.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 108.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.507 0.194 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.19 40.73 27.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -116.36 -132.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.25 -150.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.65 159.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.68 97.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -105.17 -170.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 77' ' ' SER . 21.1 pt -132.28 13.98 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 8' ' ' ILE . 0.5 OUTLIER 53.21 171.16 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -43.69 29.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CB ' ' HB ' ' A' ' 8' ' ' ILE . 6.0 t70 -74.9 -41.95 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.49 -44.84 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.9 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.409 ' C ' ' OE1' ' A' ' 15' ' ' GLN . 14.3 tm0? -50.89 -53.04 35.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' A' ' 20' ' ' MET . 10.7 tp -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.16 -31.69 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -82.09 -46.26 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.565 ' CE2' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -68.02 -55.11 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 3.3 ppp? -53.05 -27.7 21.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -53.87 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -46.32 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 144.51 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.4 p -127.94 10.92 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -79.1 -179.42 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -105.11 143.33 33.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.78 -28.49 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -69.09 -23.38 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -41.37 66.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.543 HG11 ' CE2' ' A' ' 56' ' ' PHE . 76.1 t -75.13 -26.26 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -51.51 62.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.36 -31.68 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.0 mt -57.93 -41.84 83.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.492 ' CZ ' ' HE1' ' A' ' 39' ' ' MET . 18.4 m-85 -81.58 -12.94 58.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -86.78 -51.12 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.33 -34.14 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.19 170.7 0.69 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -60.17 -14.24 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.492 ' HE1' ' CZ ' ' A' ' 34' ' ' PHE . 79.4 mmm -79.34 5.12 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.53 -2.27 58.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -76.23 -20.66 57.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -116.03 47.44 1.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.59 130.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -102.63 85.51 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.93 -88.3 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.62 22.44 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.38 131.48 30.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.423 ' CG1' ' HA3' ' A' ' 52' ' ' GLY . 16.1 tt -113.85 151.64 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.0 -175.31 47.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -61.02 -57.14 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.36 -33.07 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' HA3' ' CG1' ' A' ' 48' ' ' ILE . . . -77.61 -29.25 55.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.535 ' CZ ' HG21 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -76.06 -55.34 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -29.0 62.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -35.39 76.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 37.7 t80 -57.33 -46.42 83.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -55.83 -22.17 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 21.0 tttt -69.55 -59.6 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.412 HD11 ' CE ' ' A' ' 39' ' ' MET . 1.7 mp -72.42 -47.49 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . 2.4 t80 -40.06 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.29 -9.34 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 5.4 tt0 71.71 7.12 5.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 19' ' ' TYR . 1.9 m -55.47 153.38 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 -9.49 40.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.01 115.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -98.39 149.07 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.28 11.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' LEU . 1.6 ptp180 -60.75 -25.54 66.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.44 -48.1 81.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 2.5 tp -75.01 -46.48 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -25.22 66.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ARG . 12.2 tp -73.56 -49.26 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 57' ' ' LEU . 5.8 mt -60.78 -47.06 88.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -74.96 -41.0 60.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -40.22 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 8' ' ' ILE . 52.6 p -62.57 -49.62 74.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.452 ' CD2' HG22 ' A' ' 99' ' ' VAL . 24.6 m-85 -101.35 107.33 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -159.23 113.66 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -19.47 65.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.17 -80.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.8 t60 75.59 85.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.61 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.14 129.51 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -114.24 45.8 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 177.81 92.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -145.28 -149.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 t -175.09 33.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 110.379 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -174.0 83.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.75 81.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 t -137.95 -43.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.416 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HA ' ' CE ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -99.6 91.74 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.64 116.82 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 m -107.32 160.2 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.2 p -136.91 162.38 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.29 136.68 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.89 37.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -58.34 -39.09 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.22 -37.54 80.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.535 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 39.6 t -74.4 -47.06 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.0 t -54.64 -21.54 10.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -72.3 -46.07 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.93 -52.74 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.22 -40.4 94.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.8 t -59.28 -40.16 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -70.48 -37.15 74.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.54 -66.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.59 -40.62 69.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.49 46.13 1.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . 173.94 39.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.84 143.92 26.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 158.3 42.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -94.2 -20.75 19.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.3 75.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 175.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.98 178.06 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.96 129.61 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -84.39 -8.35 59.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' CE ' ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.503 0.192 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.78 50.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -76.13 -123.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 166.05 155.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -129.26 -175.15 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 5' ' ' ARG . . . -35.39 92.5 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 5' ' ' ARG . 3.1 mp -41.05 110.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.734 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 12' ' ' ASP . 13.6 tt -56.49 104.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.463 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -50.15 176.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.037 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -50.63 13.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.44 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -74.67 -38.39 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -35.93 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.6 44.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.1 tp60 -51.61 -55.8 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.49 -41.56 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -56.64 -58.72 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 9.9 m-85 -51.83 -44.22 63.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.452 ' CG ' HD23 ' A' ' 61' ' ' LEU . 79.0 mtp -62.27 -56.08 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -53.17 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -39.27 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.0 165.78 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -142.57 63.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 169.62 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -105.14 146.43 29.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.63 -31.86 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -64.45 -36.27 83.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.8 -33.89 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.7 t -73.89 -44.19 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 37.0 mt -67.64 -21.44 65.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -26.19 66.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.622 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 1.2 mt -82.49 -27.58 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 31.5 m-85 -77.3 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 11.2 pt-20 -103.84 -45.45 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -114.29 -32.74 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.622 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -67.18 168.95 36.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.69 -25.64 67.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -55.98 -16.97 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -75.52 -2.48 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -68.02 -26.24 65.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 3.9 m-30 -111.92 44.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.7 t -126.96 128.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' ALA . 28.2 mt-30 -117.62 121.93 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.3 58.8 4.96 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.62 22.06 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -124.93 168.22 13.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 tt -141.78 151.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.16 175.81 43.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -68.46 -30.44 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.4 -54.79 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -54.44 -31.23 51.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 75.2 t80 -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.24 -44.47 95.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 9.3 pt20 -75.85 -22.56 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 25.4 t80 -68.27 -40.01 82.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 53' ' ' PHE . 2.3 mt -61.91 -22.69 65.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 1.3 tttt -69.82 -60.03 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 55' ' ' GLN . 4.2 mp -70.96 -45.81 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CD2' ' CD1' ' A' ' 61' ' ' LEU . 2.5 t80 -39.98 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' CD1' ' CD2' ' A' ' 60' ' ' TYR . 1.5 mp -83.48 -3.15 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER 69.22 6.0 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 2.0 m -55.03 152.59 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.54 -9.25 44.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 116.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -98.64 147.4 33.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.53 17.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -35.12 80.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -53.33 -41.93 66.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.486 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 1.7 tp -74.07 -47.59 35.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -23.19 47.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 tp -74.96 -46.87 32.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.75 64.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 4.9 mt -53.44 -56.82 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 50' ' ' TYR . 12.3 t80 -62.63 -42.15 99.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -52.75 -45.05 66.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.543 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 25.2 t -85.18 48.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 77' ' ' SER . 0.9 OUTLIER 176.91 109.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -171.12 141.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' CE ' ' A' ' 1' ' ' MET . 1.6 t -83.27 -25.73 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.55 148.88 5.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.482 ' CG ' ' N ' ' A' ' 83' ' ' CYS . 18.1 t-80 178.99 165.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 82' ' ' HIS . 0.0 OUTLIER 74.79 22.45 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 108.292 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 2.0 mm? -90.76 47.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER 78.59 162.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.58 81.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.0 m -118.62 48.79 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.0 t30 42.33 41.15 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.28 39.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -81.22 -9.01 59.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.69 95.08 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -115.68 130.12 56.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.71 160.18 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 95' ' ' CYS . 87.9 t -121.41 152.96 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.422 ' N ' HG12 ' A' ' 94' ' ' VAL . 10.9 m -75.14 135.29 41.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.02 -43.24 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -61.9 -44.15 97.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.22 -44.15 88.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.42 -41.48 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.406 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 47.5 t -55.32 -22.64 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.93 -50.98 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.21 -49.82 73.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.485 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.3 m-85 -61.84 -33.45 74.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 t -65.17 -38.76 91.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 108' ' ' GLY . 0.1 OUTLIER -74.82 -32.33 61.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mp -47.66 -61.72 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -51.07 -36.21 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . . . -111.19 45.32 1.34 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.93 51.72 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 111.99 6.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 110.33 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.52 26.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -89.05 -22.08 23.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.238 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.75 99.5 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.7 177.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 mt -101.82 177.93 4.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.26 129.61 12.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -85.5 -111.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' CB ' ' HD2' ' A' ' 3' ' ' LYS . 5.2 ttm . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.532 0.206 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.18 36.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -103.94 -132.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CD1' ' A' ' 102' ' ' TYR . 1.7 tp10 72.39 142.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.06 158.4 33.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 51.2 102.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.62 120.07 17.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.1 pt -66.81 119.76 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.89 179.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -48.57 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.12 -42.63 96.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.94 -45.09 93.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -57.11 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -51.2 -54.14 28.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -48.43 74.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -59.9 -57.1 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -47.4 -55.36 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.549 ' CD2' HG11 ' A' ' 63' ' ' VAL . 2.0 m-85 -61.65 -48.53 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 23' ' ' SER . 52.9 ttm -56.9 -56.34 22.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.25 -53.43 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -35.82 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -78.75 165.27 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.3 p -137.08 10.91 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -84.32 -177.81 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -134.93 155.09 51.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.89 -32.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -69.38 -22.67 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -44.71 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG23 ' CG2' ' A' ' 59' ' ' ILE . 71.9 t -73.87 -32.43 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -55.8 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -59.35 -22.26 61.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.578 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 16.8 mt -81.63 -28.13 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CE1' ' CD1' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -75.0 -10.99 60.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 15.1 pt-20 -103.62 -45.39 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -117.47 -33.33 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.578 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.52 -175.49 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.45 -16.42 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.589 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 17.5 mmt -74.78 -11.51 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.79 -2.63 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -75.24 -22.72 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.79 49.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.2 t -126.46 132.22 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -105.76 89.08 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.96 -95.27 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.39 13.5 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.64 139.76 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.701 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 10.3 tt -119.59 158.63 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.77 -170.89 40.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -65.98 -54.4 26.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -48.74 -33.93 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.14 -29.39 41.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -78.28 -38.68 42.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -36.04 69.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.42 ' NE2' ' HE3' ' A' ' 39' ' ' MET . 14.6 pt20 -73.67 -26.46 60.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -61.59 -44.28 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.52 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -56.06 -21.44 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.2 tttp -64.27 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' CG2' HG23 ' A' ' 30' ' ' VAL . 3.9 mp -70.4 -45.51 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 2.1 t80 -39.88 -69.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.46 -2.75 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 4.1 tt0 66.58 8.9 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.549 HG11 ' CD2' ' A' ' 19' ' ' TYR . 2.4 m -58.27 155.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.454 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 3.9 m-20 -89.79 -9.99 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -173.4 117.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -95.02 147.55 33.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -53.74 -42.78 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 3.5 tp -74.12 -44.11 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -56.65 -33.41 66.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.62 -48.36 64.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.2 -29.28 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.52 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 6.9 mt -62.72 -48.82 77.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CE2' ' OE1' ' A' ' 79' ' ' GLU . 8.5 t80 -66.19 -40.5 90.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.14 -26.79 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -71.58 -48.9 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -123.85 126.73 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 57.9 tt0 -175.47 133.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.7 p -75.92 -130.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 83' ' ' CYS . . . 123.37 -58.46 0.63 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.3 t60 65.57 -75.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 109.618 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 81' ' ' GLY . 73.1 m -99.98 105.74 17.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.6 mm? -96.1 53.49 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.4 p30 174.23 69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.8 -155.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.1 m -136.29 48.57 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -159.93 64.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.1 t -128.32 38.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -86.82 -14.5 41.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -123.32 88.22 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.92 99.24 12.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.1 m -114.6 177.95 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.22 159.13 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.9 t -75.14 140.12 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 48' ' ' ILE . 1.1 mp -83.15 -57.11 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -48.98 -30.28 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.6 m-20 -67.3 -41.83 84.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 103' ' ' PHE . 79.4 t -72.53 -43.06 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.2 t -58.49 -23.72 58.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.1 -54.4 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 39.5 t80 -64.29 -42.66 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CD1' HG13 ' A' ' 99' ' ' VAL . 5.6 m-85 -67.4 -30.0 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 109' ' ' GLY . 15.9 t -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.29 -52.64 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -61.77 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -47.34 67.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.92 -58.15 0.33 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.157 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 104' ' ' SER . . . 78.57 46.69 8.56 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.48 136.32 22.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -176.02 2.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.06 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.35 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.7 t70 59.71 75.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -164.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' O ' ' OE1' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.12 164.35 24.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 115' ' ' LEU . 3.9 mm-40 -141.34 142.4 33.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -107.76 72.53 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 107.991 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.502 0.191 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.09 60.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -74.54 -124.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 61.05 141.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.06 45.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.48 110.5 2.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mp -139.33 -169.13 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.452 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 12.3 pt -43.45 122.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -50.42 -179.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.98 -4.91 16.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -50.03 11.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -31.04 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.8 -42.54 93.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.85 71.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.657 ' NE2' ' CE1' ' A' ' 19' ' ' TYR . 15.8 tm0? -50.62 -53.08 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.01 -35.68 79.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.63 -56.95 15.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -60.43 -27.95 67.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.657 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -77.35 -42.66 35.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 91.7 mtp -78.01 -44.08 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 13.4 pt-20 -44.59 -47.27 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -73.65 -29.57 62.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.64 150.43 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.0 p -131.81 10.84 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -75.34 -176.69 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 136.68 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 60' ' ' TYR . 1.4 p -70.1 -22.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.03 -40.86 81.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -75.59 -35.53 60.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG11 ' CE1' ' A' ' 56' ' ' PHE . 73.9 t -71.51 -29.22 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' VAL . 2.2 mm? -67.02 -62.58 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -18.64 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.1 mt -66.52 -45.92 77.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.591 ' CZ ' ' CD2' ' A' ' 56' ' ' PHE . 19.6 m-85 -83.09 -12.69 56.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.62 -60.15 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -134.64 24.13 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -102.95 -156.24 25.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -23.62 47.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.55 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 32.3 mmt -83.82 11.34 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.24 -2.52 56.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 2.2 ptpt -83.36 -20.42 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 4.6 m-30 -112.0 39.63 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.3 t -123.28 135.22 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -103.5 89.09 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.93 -99.78 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.43 9.33 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.26 141.45 49.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 tt -109.14 153.92 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.77 173.88 54.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -72.02 -30.33 65.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.72 -51.56 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -55.77 -28.94 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -66.27 -27.09 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -60.48 -56.3 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' NE2' ' SD ' ' A' ' 39' ' ' MET . 7.3 pt20 -56.92 -30.18 63.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 2.7 t80 -56.88 -53.4 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 74' ' ' LEU . 11.0 mt -58.54 -22.28 55.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -58.64 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 2.3 mt -73.21 -48.48 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.572 ' CE1' HG21 ' A' ' 27' ' ' VAL . 24.7 t80 -48.07 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 7.2 mt -70.65 -7.67 46.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.47 13.46 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -70.69 155.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -13.03 52.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.73 117.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -96.31 147.87 33.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.4 21.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -35.79 78.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -52.71 -46.96 67.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 3.7 tp -74.28 -40.43 62.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.5 m -56.58 -35.99 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.99 -49.14 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.35 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 57' ' ' LEU . 5.4 mt -56.48 -43.85 80.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -72.14 -39.44 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -57.36 -20.96 32.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.5 p -48.6 -39.55 24.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' HG11 ' A' ' 94' ' ' VAL . 59.8 t80 -118.09 -70.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 80' ' ' THR . 32.7 tt0 67.71 154.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLU . 2.5 p -52.89 -103.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.02 123.79 2.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -94.45 142.58 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 109.562 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.52 155.06 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 108.304 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.61 46.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -145.63 179.35 7.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -129.54 106.16 8.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 m -118.14 46.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.441 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.7 t30 50.71 60.28 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.52 87.39 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -122.72 -3.46 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -94.78 82.19 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -68.81 91.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 22.2 m -128.9 168.33 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 78' ' ' PHE . 84.4 t -142.41 152.2 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.35 135.6 40.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 108.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.58 -25.1 49.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -74.96 -39.14 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' OD2' ' CE1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -64.03 -42.24 97.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.592 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 58.5 t -67.0 -28.06 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 p -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.09 -43.36 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.452 ' OH ' ' CD1' ' A' ' 8' ' ' ILE . 49.0 t80 -56.18 -51.76 66.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.592 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 5.8 m-85 -63.32 -41.36 98.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.0 t -58.91 -31.58 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.54 -42.1 92.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -44.97 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.2 -11.36 39.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.31 -32.68 15.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.5 -100.51 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 143.73 82.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 154.74 43.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 113' ' ' ASP . 2.2 pm0 -86.79 -34.82 19.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 26.9 t70 58.93 43.83 17.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 -172.59 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' C ' ' CG ' ' A' ' 116' ' ' GLU . 4.1 mt -54.41 175.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' CG ' ' C ' ' A' ' 115' ' ' LEU . 1.2 mt-10 -152.8 131.27 12.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -106.23 -112.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' ALA . 25.0 ptp . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.49 0.186 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 38.85 33.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -175.2 -127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' ' CD1' ' A' ' 7' ' ' LEU . 3.1 tt0 173.93 -154.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 126.04 25.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.66 95.88 0.69 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.414 ' CD1' ' O ' ' A' ' 4' ' ' GLU . 4.8 mp -121.34 -168.15 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.3 pt -42.88 114.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -49.79 178.61 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.98 -2.12 12.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -46.56 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.97 -40.05 60.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.66 -46.06 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -59.21 -43.04 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.574 ' HG3' ' CD2' ' A' ' 19' ' ' TYR . 4.2 tp-100 -62.92 -50.38 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 74' ' ' LEU . 5.6 mt -63.62 -43.23 97.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.51 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -42.44 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' HG3' ' A' ' 15' ' ' GLN . 4.7 m-85 -72.05 -53.51 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.413 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.1 ppp? -60.62 -21.44 62.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -53.5 57.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -22.84 67.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 118.37 29.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -118.44 14.77 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -178.96 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -105.19 142.96 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -72.79 -27.14 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.8 p -68.19 -22.69 64.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -73.21 -47.92 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.99 -30.29 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -52.66 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -58.23 -29.83 66.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.3 mt -65.82 -33.16 75.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.463 ' CB ' HD22 ' A' ' 96' ' ' LEU . 4.9 m-85 -79.47 -10.68 59.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -104.51 -45.16 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 7.4 t0 -114.27 -34.64 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.563 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.86 -171.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.48 -30.77 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.454 ' HE3' ' CD1' ' A' ' 59' ' ' ILE . 3.6 tpp -64.23 -9.04 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.66 -2.37 29.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -20.14 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.07 24.87 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -108.03 130.96 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.67 130.12 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 54.17 23.89 26.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 4.3 t70 82.89 -5.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.76 155.55 16.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.7 pt -96.62 159.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -111.86 -171.22 18.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 13.5 t80 -55.7 -57.76 10.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 0.729 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -64.06 -39.72 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.43 -24.85 66.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -76.19 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 51' ' ' GLU . 2.2 pm0 -64.6 -28.72 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -62.99 -32.66 74.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.731 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 42.1 t80 -64.5 -47.13 80.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 74' ' ' LEU . 2.4 mp -54.5 -22.22 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -68.33 -59.2 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' HE3' ' A' ' 39' ' ' MET . 77.7 mt -73.13 -48.03 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 14.7 t80 -44.16 -69.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -74.71 -25.74 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER 83.28 12.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.47 165.8 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -5.08 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.39 117.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.5 147.62 34.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ttm105 -51.82 -26.23 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -59.16 -43.26 92.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 2.7 tp -71.62 -45.18 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -27.01 54.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.42 -47.1 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.66 68.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' CD1' HD22 ' A' ' 57' ' ' LEU . 4.3 mt -52.74 -47.51 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.598 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 3.3 t80 -58.99 -45.34 90.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -52.85 -31.88 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.565 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.7 t -57.45 -61.07 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 77' ' ' SER . 1.0 OUTLIER -127.88 143.28 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.598 ' OE1' ' CD2' ' A' ' 75' ' ' PHE . 2.1 tt0 -155.81 -175.61 5.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 176.15 133.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.29 95.89 0.85 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.64 -53.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.562 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 t 56.45 19.5 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 45.21 42.54 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 86' ' ' GLU . 2.0 t-20 -167.28 47.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 85' ' ' ASN . 2.5 pt-20 34.26 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' ASN . 31.9 m -95.26 40.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' THR . 61.3 t30 40.54 44.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.17 40.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.4 p -50.98 -27.92 8.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.52 82.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.98 114.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.5 m -123.74 172.98 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.479 HG22 ' CE1' ' A' ' 75' ' ' PHE . 93.5 t -140.65 151.4 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.5 t -76.15 144.24 40.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -70.74 -43.26 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.96 -35.68 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.73 -46.89 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.449 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 61.7 t -68.81 -29.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' SER . 38.7 t -73.82 -27.46 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.05 -49.44 15.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -54.41 -56.67 16.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.776 ' CE1' ' CE2' ' A' ' 60' ' ' TYR . 12.2 m-85 -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.7 t -59.18 -31.35 68.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' GLY . 2.9 mm? -74.48 -44.47 51.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -57.75 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -53.51 -48.57 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.65 52.92 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . -92.85 48.73 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 119.37 49.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.41 42.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -19.76 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.62 107.23 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.493 ' CD1' ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -55.13 156.93 3.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.402 ' CG ' ' C ' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -152.26 131.76 13.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -101.99 -1.17 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 107.986 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' ALA . 77.8 mtp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.498 0.19 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 39.49 40.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -119.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 175.06 142.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.97 116.55 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.55 108.38 0.06 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -99.34 -164.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 12' ' ' ASP . 20.3 pt -91.5 20.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER 52.97 172.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.25 -51.16 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HB3' ' CG1' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -75.72 -35.16 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CZ ' HD12 ' A' ' 106' ' ' LEU . 0.7 OUTLIER -61.59 -34.29 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -52.27 46.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.5 tp60 -52.27 -55.82 18.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -51.71 -43.67 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -58.13 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -50.92 45.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.492 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 3.7 m-85 -60.3 -42.5 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.7 ttm -65.13 -48.23 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.5 -53.14 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.85 -39.59 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -77.96 175.72 9.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 t -144.06 17.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -88.78 -176.82 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.67 143.32 47.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.6 -36.98 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -24.57 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -44.03 38.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 60' ' ' TYR . 88.3 t -74.93 -26.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -52.2 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -27.5 64.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 13.2 mt -69.51 -39.31 77.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.7 ' CZ ' ' CE ' ' A' ' 39' ' ' MET . 2.5 m-85 -81.59 -13.08 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -86.46 -51.16 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.76 -33.8 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.99 162.83 3.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -50.91 -21.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.7 ' CE ' ' CZ ' ' A' ' 34' ' ' PHE . 88.4 mmm -71.18 -3.94 22.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.15 -2.56 52.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -74.91 -18.08 60.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.175 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -112.4 43.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -137.45 131.88 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -102.8 79.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.52 -100.12 1.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.8 15.27 15.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.24 139.45 48.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' A' ' 34' ' ' PHE . 7.6 tt -112.91 157.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -171.17 42.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.94 -47.0 66.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -49.55 -55.58 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 56' ' ' PHE . . . -56.53 -24.81 48.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -55.11 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 1.3 pp0? -70.41 -34.45 72.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' NE2' ' HE2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.755 ' CZ ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -69.59 -39.03 77.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.586 ' CD2' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.61 -22.25 12.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.8 tptp -67.9 -59.46 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.2 mp -73.57 -47.89 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.755 ' CG ' ' CZ ' ' A' ' 56' ' ' PHE . 6.7 t80 -40.38 -73.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.78 -16.82 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 2.3 tm-20 77.41 12.91 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 m -67.22 168.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 2.2 m-20 -115.65 -5.93 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -162.57 104.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.12 147.19 33.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 125.25 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.93 -30.21 65.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -58.01 -41.48 83.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.603 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' A' ' 57' ' ' LEU . 3.6 tp -74.47 -41.79 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 t -56.72 -51.81 67.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -49.5 75.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -34.37 77.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.586 ' CD1' ' CD2' ' A' ' 57' ' ' LEU . 7.0 mt -66.09 -36.35 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.15 -54.09 12.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -52.91 -34.84 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -44.87 -50.83 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -112.3 165.3 12.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 172.67 151.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -108.67 -129.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.446 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' HIS . . . -80.36 -163.19 28.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' GLY . 1.0 OUTLIER 39.65 84.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.593 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.67 -152.67 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 108.285 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 61.09 42.75 12.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 m120 45.64 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 87' ' ' THR . 0.5 OUTLIER -118.05 24.86 10.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 86' ' ' GLU . 13.8 t 50.91 20.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -132.01 42.36 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.3 t -86.11 95.79 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 91' ' ' LYS . 3.4 t -169.96 -38.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 90' ' ' THR . 0.0 OUTLIER -111.76 100.48 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.11 133.59 12.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.2 m -117.92 173.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.15 153.98 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.99 138.35 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.36 -34.47 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -65.16 -31.58 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -49.77 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 103' ' ' PHE . 95.4 t -65.46 -33.83 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -64.09 -25.12 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.54 -54.42 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.53 -53.94 47.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.484 ' CD2' HG11 ' A' ' 99' ' ' VAL . 2.8 m-85 -61.32 -34.8 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -59.71 -33.19 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -51.27 35.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.511 HD12 ' CZ ' ' A' ' 13' ' ' PHE . 1.3 mp -52.61 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.55 -33.9 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.39 -67.54 2.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 162.07 70.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -113.47 96.25 39.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.43 42.88 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.464 1.771 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 113' ' ' ASP . 1.1 pm0 -91.84 -35.1 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 17.1 t70 58.14 41.88 23.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -78.96 178.89 7.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.95 177.69 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.02 130.23 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -123.45 -112.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 108.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 2' ' ' ALA . 23.3 mtm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.52 0.2 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 40.3 40.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 -128.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -177.89 -151.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -131.57 44.85 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.36 -107.48 0.21 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 76' ' ' GLN . 0.3 OUTLIER 56.19 -145.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.282 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -79.86 160.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.499 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 0.6 OUTLIER 162.87 -51.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -97.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.23 -42.9 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' CB ' ' HB ' ' A' ' 8' ' ' ILE . 1.1 m-20 -50.28 -36.57 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.499 ' HB2' ' CA ' ' A' ' 9' ' ' SER . 12.7 t80 -77.54 -38.79 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.7 -48.15 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -51.48 -54.15 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -55.42 -54.73 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -54.97 -52.74 62.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 18.9 tttt -58.18 -52.17 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.467 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.7 m-85 -48.43 -31.22 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' SER . 2.3 tpp -77.52 -29.32 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -45.18 -35.12 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -89.46 -23.41 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -75.42 116.08 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.8 p -107.9 11.17 28.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.83 170.72 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -104.79 146.16 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.82 -29.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -65.22 -28.06 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -72.56 -44.45 62.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.0 t -68.7 -24.86 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -60.46 -52.04 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.232 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.83 -33.97 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.7 mt -57.58 -44.04 85.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.504 ' CE1' ' HE1' ' A' ' 39' ' ' MET . 13.9 m-85 -81.8 -13.82 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.9 mm-40 -84.41 -57.8 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.1 -32.38 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -57.65 156.68 16.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -25.18 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.504 ' HE1' ' CE1' ' A' ' 34' ' ' PHE . 68.6 mmm -63.4 -11.23 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -80.67 -2.59 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -9.81 48.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CD2' ' OE1' ' A' ' 55' ' ' GLN . 36.1 m-85 -123.5 41.47 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.6 t -131.36 127.74 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -121.75 134.48 54.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.71 34.28 36.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.21 18.52 6.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -125.06 164.11 20.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 tt -131.85 151.54 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.7 175.06 33.8 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -57.36 -46.9 82.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -52.6 -53.14 50.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.0 -27.95 47.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -26.96 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.34 -61.11 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.582 ' OE1' ' CD2' ' A' ' 42' ' ' TYR . 10.3 pt20 -60.93 -28.59 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 8.6 t80 -56.75 -53.11 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 ' CD2' HD13 ' A' ' 74' ' ' LEU . 11.5 mt -54.64 -22.22 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -57.83 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.426 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 13.0 mt -76.35 -47.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 3.5 t80 -49.13 -62.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 19' ' ' TYR . 11.3 mt -86.37 11.44 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 39.26 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 61' ' ' LEU . 2.7 m -86.41 153.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 14.8 p-10 -85.06 -10.67 56.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -174.93 117.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -99.37 147.29 33.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.28 15.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.39 -36.22 83.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -53.2 -41.41 65.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.634 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 tp -75.01 -44.61 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 m -56.67 -23.82 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.25 -48.43 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.22 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 57' ' ' LEU . 4.0 mt -53.06 -45.02 67.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.81 -48.81 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 32.2 mt-30 -58.66 -27.6 64.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -45.82 -28.84 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -146.96 -67.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 48.21 95.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.12 -21.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.454 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.74 -69.47 1.33 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 70.29 170.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.614 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 67.04 132.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.346 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -122.82 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -138.19 85.32 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 85' ' ' ASN . 3.4 mm-40 34.1 88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -118.28 24.93 10.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.6 t30 59.2 75.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.4 89.97 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.7 t -108.5 -7.46 15.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -162.14 74.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.1 111.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.81 151.39 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.36 153.55 34.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.11 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -32.8 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.0 -38.05 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.89 -42.19 85.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.617 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 10.3 t -67.3 -28.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.429 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 15.6 t -67.21 -31.38 71.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -38.95 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 108.254 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.88 -56.9 13.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.617 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 9.3 m-85 -62.45 -27.2 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 t -60.03 -30.15 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -36.89 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.33 -62.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -60.74 -33.05 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.25 45.57 1.3 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -90.76 52.52 3.31 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 110.63 2.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 0.0 110.364 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.451 ' HG2' ' CG ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.0 159.68 41.05 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -95.81 -18.9 20.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.56 103.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' CG ' ' HG2' ' A' ' 111' ' ' PRO . 4.2 mtmp? -82.63 153.39 25.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.99 177.55 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.2 127.51 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -108.05 73.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 107.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.515 0.198 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.33 74.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.24 -125.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 5' ' ' ARG . 1.8 tt0 61.07 142.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 0.7 OUTLIER 50.06 98.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.337 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.54 -3.98 6.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.472 ' CD2' ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -101.18 -169.52 1.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' LEU . 31.6 pt -39.12 111.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -47.86 175.61 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.04 -2.69 12.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -79.73 -46.19 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.74 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.68 -37.14 67.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.83 81.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.586 ' CD ' ' CE2' ' A' ' 19' ' ' TYR . 3.1 tp-100 -71.34 -51.99 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -51.6 -41.83 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.84 -56.34 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -48.91 -46.18 42.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE2' ' CD ' ' A' ' 15' ' ' GLN . 5.5 m-85 -63.82 -42.36 97.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.6 ttm -68.43 -40.56 81.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.39 -48.06 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.17 -41.97 94.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.82 159.12 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -147.41 18.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.12 -178.87 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -104.6 146.43 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.35 -35.17 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -72.88 -27.14 61.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -75.5 -40.43 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG12 ' CG2' ' A' ' 59' ' ' ILE . 98.6 t -73.2 -34.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 33.3 mt -70.43 -27.69 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -17.47 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -78.85 -39.7 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 39' ' ' MET . 3.4 m-85 -81.55 -14.46 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.97 -57.84 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.71 -32.34 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -55.69 164.66 4.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -54.14 -25.7 23.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 63.9 mmm -61.99 -13.08 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.27 -2.56 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -13.15 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -111.67 2.42 17.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 t -94.41 140.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -108.99 80.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.18 -95.12 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.64 -8.05 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.19 174.09 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.439 ' HB ' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -145.25 155.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' HD11 ' A' ' 48' ' ' ILE . . . -75.03 176.84 49.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -81.2 -52.0 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -43.98 79.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.76 -39.48 67.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -27.67 50.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.7 -33.1 74.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.48 -37.92 68.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t80 -57.38 -46.16 83.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 1.1 mt -58.91 -22.12 58.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -70.04 -59.63 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.461 ' CG2' HG12 ' A' ' 30' ' ' VAL . 30.9 mt -72.03 -46.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -39.51 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.21 -4.9 57.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.462 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 69.68 6.32 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.558 HG13 ' CD1' ' A' ' 19' ' ' TYR . 1.7 m -54.64 143.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.72 -11.03 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.14 116.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.81 147.5 35.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 133.05 16.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -62.37 -34.91 77.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -53.22 -45.51 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 3.9 tp -72.64 -37.66 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -39.58 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' HG ' ' NE2' ' A' ' 76' ' ' GLN . 7.0 tp -68.73 -49.23 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.29 69.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 70' ' ' LEU . 8.8 mt -73.02 -37.23 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -72.69 -55.12 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.401 ' NE2' ' HG ' ' A' ' 72' ' ' LEU . 3.2 pt20 -57.57 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.5 t -47.6 -54.84 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -126.34 137.65 53.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.516 ' C ' ' CG2' ' A' ' 80' ' ' THR . 36.0 tt0 -149.94 70.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.516 ' CG2' ' C ' ' A' ' 79' ' ' GLU . 1.2 p 69.72 -49.16 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 166.86 -85.62 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.32 165.0 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.641 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.51 133.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -104.31 41.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -166.33 165.95 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ASN . 7.9 mt-10 -109.92 26.86 10.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.1 p -64.04 74.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' GLU . 51.4 t30 54.22 40.61 31.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t -92.8 38.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 14.4 t -100.87 134.56 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 90' ' ' THR . 10.9 mtpt 164.32 91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.37 65.82 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.11 159.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 95' ' ' CYS . 59.8 t -150.85 146.48 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.463 ' N ' HG13 ' A' ' 94' ' ' VAL . 3.1 t -75.88 120.08 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.439 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -75.2 -15.18 60.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.436 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 5.1 t-20 -76.79 -47.44 21.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.49 -31.83 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.558 HG13 ' CD2' ' A' ' 103' ' ' PHE . 22.1 t -73.87 -32.43 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 21.3 t -62.04 -22.9 66.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.08 -55.09 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -53.74 -50.05 66.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CD2' HG13 ' A' ' 99' ' ' VAL . 5.3 m-85 -61.54 -37.87 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -58.97 -30.18 67.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -42.61 57.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.51 -59.02 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.33 -32.32 64.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.97 -31.47 72.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -103.03 53.55 0.74 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 149.72 93.19 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 153.87 41.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -38.5 -39.58 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -159.47 118.3 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -54.78 174.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.12 176.69 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.09 130.04 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -107.56 72.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 107.988 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.531 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.639 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.04 -1.64 11.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -79.47 -47.74 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.627 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 2.0 t80 -65.94 -33.33 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -66.82 -51.22 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.574 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -54.17 -56.24 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.647 ' CD1' HD21 ' A' ' 70' ' ' LEU . 1.1 mp -61.98 -40.45 95.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 4.8 tt0 -61.28 -61.04 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -56.93 -29.62 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -68.55 -54.14 18.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.532 ' HE1' ' HB3' ' A' ' 106' ' ' LEU . 4.0 ptp -72.68 -24.19 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 20' ' ' MET . 0.7 OUTLIER -51.81 -48.46 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -27.37 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -80.07 159.74 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 p -134.03 10.82 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -70.72 -177.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -135.31 142.56 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.34 -34.0 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 p -67.43 -22.92 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.1 -46.92 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.85 -29.97 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -54.7 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -34.66 71.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 4.3 mt -56.31 -43.7 79.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 21.7 m-85 -80.92 -13.27 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.71 -57.45 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -116.21 -32.71 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.19 -174.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -28.32 64.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.798 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.539 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -63.11 -11.37 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.9 -2.39 36.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -75.29 -17.32 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -121.4 37.59 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.2 t -122.47 135.68 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -104.29 81.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.09 -103.14 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.87 17.47 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.531 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -138.42 144.16 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.5 tt -119.05 151.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.53 -176.85 47.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -73.66 -52.98 11.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.9 -53.02 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.85 -30.81 53.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HZ ' HG11 ' A' ' 99' ' ' VAL . 2.1 t80 -64.85 -28.05 69.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.73 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -32.39 67.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 6.8 t80 -57.54 -52.59 64.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.926 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.5 mt -62.63 -23.64 67.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -59.55 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 51.2 mt -70.49 -46.8 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.3 t80 -44.23 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -83.68 7.58 17.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 61' ' ' LEU . 6.8 pt-20 47.43 24.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.583 HG21 HG23 ' A' ' 66' ' ' VAL . 10.9 m -76.93 162.49 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -97.35 -6.0 35.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.36 116.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.926 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -96.17 148.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.654 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.02 134.99 18.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -67.05 -25.23 66.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.647 HD21 ' CD1' ' A' ' 16' ' ' LEU . 3.9 tp -69.1 -41.43 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -32.94 65.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -47.61 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.627 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -71.97 -20.13 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.893 ' CD1' HD21 ' A' ' 57' ' ' LEU . 8.1 mt -70.56 -50.62 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 1.5 t80 -66.05 -41.7 90.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -54.88 -36.66 65.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -52.67 -53.57 45.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.13 133.3 35.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' OE1' ' CD2' ' A' ' 75' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.531 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 27.4 m -108.34 161.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 p -138.19 148.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.7 t -75.05 136.28 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -39.37 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -58.56 -32.43 68.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.08 -45.99 65.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.505 HG11 ' HZ ' ' A' ' 53' ' ' PHE . 78.5 t -70.44 -35.26 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -26.74 68.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.2 t -77.14 -53.98 7.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.26 -44.9 76.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.12 -32.14 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -58.76 -26.05 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -44.57 68.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.532 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 0.2 OUTLIER -50.02 -66.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.04 -0.16 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -48.47 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.943 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.06 -33.93 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.81 -44.12 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -59.5 -52.64 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.2 tp60 -50.51 -53.57 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 70' ' ' LEU . 1.4 tp -62.51 -49.84 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 20' ' ' MET . 7.9 tt0 -59.44 -18.77 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.479 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 24.6 m-85 -69.72 -44.14 70.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 17' ' ' GLN . 3.1 ppp? -68.69 -19.33 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 9.2 pt-20 -40.28 -47.26 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -85.06 -47.6 10.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 44.7 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 t -102.09 15.65 28.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -138.21 168.66 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.8 mmtm -105.39 139.56 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.23 -26.47 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.2 m -81.87 -34.9 29.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -34.62 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.768 ' HA ' HD12 ' A' ' 33' ' ' LEU . 22.8 t -67.77 -45.18 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 100' ' ' SER . 32.2 mt -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -20.89 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 30' ' ' VAL . 2.2 mt -80.73 -32.42 35.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 16.6 m-85 -81.41 -14.16 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.38 -57.77 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.24 -32.18 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.77 170.09 3.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.05 -29.51 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.454 ' SD ' HD11 ' A' ' 59' ' ' ILE . 36.8 mmt -58.32 -15.16 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -78.93 -2.39 39.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HE3' ' CE2' ' A' ' 42' ' ' TYR . 1.6 pttt -67.12 -31.26 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CE2' ' HE3' ' A' ' 41' ' ' LYS . 23.1 m-85 -108.11 33.95 3.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -117.84 130.97 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -101.81 81.09 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.4 -94.12 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.05 18.67 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 94' ' ' VAL . . . -138.71 138.8 38.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.6 tt -116.02 157.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.18 -179.92 52.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' CD2' ' N ' ' A' ' 51' ' ' GLU . 2.9 t80 -69.0 -57.0 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' N ' ' CD2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -50.86 -44.93 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.267 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.83 -39.99 70.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.613 ' HZ ' HG11 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -54.94 -27.69 45.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.013 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.62 -32.09 73.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -75.12 -29.94 60.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 49.4 t80 -68.76 -48.08 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.86 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.3 mt -59.58 -21.81 60.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 3.2 tttt -69.65 -59.48 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.454 HD11 ' SD ' ' A' ' 39' ' ' MET . 11.5 mt -73.84 -47.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.636 ' HA ' HG21 ' A' ' 30' ' ' VAL . 3.5 t80 -40.38 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.443 HD11 HD23 ' A' ' 57' ' ' LEU . 1.9 mp -75.32 -21.32 58.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER 82.28 10.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.646 HG21 HG23 ' A' ' 66' ' ' VAL . 4.3 m -65.09 157.68 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.66 -7.86 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -175.2 117.46 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -95.31 147.54 33.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.4 Cg_endo -74.98 137.94 22.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -66.74 -33.35 75.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -53.81 -47.08 71.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.943 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.3 tp -71.81 -46.7 57.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -23.67 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ARG . 9.8 tp -74.65 -49.2 22.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.19 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.74 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.0 mt -58.77 -50.99 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 79' ' ' GLU . 19.8 t80 -71.9 -43.16 65.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.98 -31.06 38.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -55.57 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.27 142.02 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 75' ' ' PHE . 13.8 pt-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.8 m -136.54 174.19 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' ALA . 6.2 p -145.01 153.57 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.808 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.7 m -75.04 137.46 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mt -85.12 -57.95 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -49.26 -39.04 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -36.92 85.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 95' ' ' CYS . 82.6 t -74.81 -34.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.411 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 2.4 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.56 -48.99 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.445 ' CE1' HD13 ' A' ' 106' ' ' LEU . 1.8 t80 -53.07 -46.05 68.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.593 ' CD1' ' OH ' ' A' ' 60' ' ' TYR . 28.2 m-85 -67.65 -32.9 73.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.3 t -59.07 -41.13 87.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -37.59 67.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -52.59 -62.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.729 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.23 -50.6 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.7 -48.8 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -63.39 -57.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -54.37 -56.35 19.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.847 HD23 HD11 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -50.65 -54.16 25.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.75 -59.32 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -49.9 -57.52 7.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.782 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.4 m-30 -54.42 -40.08 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 ttm -67.32 -45.46 76.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -53.19 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.79 -29.48 64.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.64 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -146.48 18.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -98.05 169.35 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -105.17 142.78 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.85 -28.65 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 p -65.85 -22.71 66.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -42.19 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.0 HG22 HG22 ' A' ' 59' ' ' ILE . 98.3 t -73.24 -32.71 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -53.88 50.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -33.28 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.4 mt -63.8 -36.77 85.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 6.1 m-85 -80.98 -13.59 58.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.95 -57.55 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -116.0 -32.46 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.62 -174.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.13 -34.52 77.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.569 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 34.1 mmt -57.53 -15.47 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.5 -2.7 30.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -30.23 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -113.61 38.04 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 t -123.38 139.77 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -101.91 100.35 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.83 -102.58 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.97 17.28 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -133.13 134.93 44.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -116.54 148.69 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -88.34 -179.2 46.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -69.86 -27.42 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 0.794 . . . . 0.0 110.951 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -47.11 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' HD11 ' A' ' 48' ' ' ILE . . . -60.87 -34.12 86.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.637 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -61.57 -28.31 69.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -55.15 -47.0 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -28.63 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.513 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 18.1 t80 -57.72 -48.87 78.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.931 ' HB3' HG21 ' A' ' 66' ' ' VAL . 4.5 mt -55.72 -22.0 21.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -69.37 -59.98 2.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.0 HG22 HG22 ' A' ' 30' ' ' VAL . 34.9 mt -72.11 -43.49 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.786 ' HE2' HD11 ' A' ' 16' ' ' LEU . 1.5 t80 -39.73 -72.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -87.21 -1.1 57.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER 67.52 7.98 5.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -54.57 162.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.13 -9.79 23.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.86 116.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.931 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -100.83 147.82 34.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.4 Cg_endo -75.03 128.41 11.44 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.788 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -32.38 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -53.43 -46.31 69.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.847 HD11 HD23 ' A' ' 16' ' ' LEU . 2.5 tp -72.14 -46.19 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -26.01 55.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.93 -49.05 26.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.81 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.845 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.2 mt -54.85 -44.72 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -72.67 -39.06 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -66.94 -26.1 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -62.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 19.2 m -143.51 171.86 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.2 155.11 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.643 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -75.04 138.67 42.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.38 -32.7 64.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -65.84 -32.75 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.27 -39.65 62.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 95' ' ' CYS . 45.7 t -74.77 -29.56 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -65.8 -22.39 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.17 -54.98 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 108.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -54.05 -45.15 71.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.534 ' CD2' HG12 ' A' ' 99' ' ' VAL . 2.5 m-85 -66.73 -30.5 70.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.6 t -63.8 -26.45 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -35.88 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -62.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -50.17 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.764 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -75.47 -41.42 55.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.62 -34.68 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -56.92 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.6 tp60 -51.71 -56.22 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.671 HD13 HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -52.75 -42.74 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.516 ' NE2' ' OE2' ' A' ' 21' ' ' GLU . 2.7 tt0 -58.08 -58.17 9.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -53.53 -57.92 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.896 ' HB3' HD22 ' A' ' 61' ' ' LEU . 8.9 m-85 -53.66 -41.27 66.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.6 ttm -69.5 -40.15 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' A' ' 17' ' ' GLN . 3.9 mt-10 -50.75 -34.52 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -41.07 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.88 143.24 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.5 p -135.86 11.26 3.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -81.4 -178.88 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.9 mmtt -105.08 143.15 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.87 -26.51 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -34.8 73.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -76.07 -30.59 58.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 60' ' ' TYR . 67.4 t -71.93 -37.0 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 96' ' ' LEU . 16.6 mt -70.9 -30.84 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -25.33 63.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 10.1 mt -73.88 -32.76 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 37.8 m-85 -81.39 -14.67 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.7 pt-20 -83.28 -47.52 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -129.44 -34.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -49.82 -178.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -36.29 77.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.66 ' SD ' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -58.65 -14.32 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . -74.63 -2.65 27.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -77.24 -21.65 53.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -122.45 51.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.573 HG22 HD12 ' A' ' 48' ' ' ILE . 74.7 t -133.35 131.64 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -104.36 81.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.368 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.28 -98.15 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.47 11.4 9.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -128.36 134.63 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.67 HD11 ' HA3' ' A' ' 52' ' ' GLY . 19.8 tt -117.19 156.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -172.7 42.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CE2' ' NH1' ' A' ' 68' ' ' ARG . 7.9 t80 -62.76 -52.07 64.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.62 -39.38 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.67 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -81.04 -38.84 14.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' HE1' HG11 ' A' ' 99' ' ' VAL . 33.5 t80 -65.41 -40.51 93.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.769 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -28.96 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.763 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 5.4 t80 -57.16 -45.25 83.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.917 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.1 mp -54.73 -22.35 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 45.5 tttt -68.62 -59.16 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.66 HD11 ' SD ' ' A' ' 39' ' ' MET . 44.2 mt -73.03 -47.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.763 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 2.3 t80 -40.25 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.896 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -85.8 -10.73 54.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.8 mt-10 73.75 2.99 4.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.62 HG21 HG23 ' A' ' 66' ' ' VAL . 1.5 m -50.74 152.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.17 -10.71 54.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.04 117.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.917 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -95.22 147.34 32.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -74.98 130.55 13.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.751 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.459 ' NH1' ' CE2' ' A' ' 50' ' ' TYR . 1.8 ttt-85 -62.34 -32.06 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -54.71 -44.74 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.58 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.686 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.5 tp -68.02 -46.55 70.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -27.04 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.02 -49.1 39.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.764 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -70.88 -31.48 68.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' A' ' 57' ' ' LEU . 7.0 mt -61.31 -40.9 95.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -74.16 -42.03 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -52.0 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -89.3 169.23 11.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.593 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 6.2 m -144.38 171.19 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 p -148.68 154.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.814 ' O ' HG23 ' A' ' 99' ' ' VAL . 51.4 m -74.96 134.93 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 48' ' ' ILE . 1.2 mt -82.0 -48.33 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -52.41 -39.44 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.17 -38.68 88.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 95' ' ' CYS . 92.9 t -72.55 -37.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.9 t -71.45 -47.0 58.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -55.85 -48.84 74.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.704 ' CE2' HG12 ' A' ' 99' ' ' VAL . 14.6 m-85 -65.46 -37.15 86.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 t -59.02 -37.36 76.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -35.21 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -66.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.01 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -51.3 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.882 ' OD1' HD12 ' A' ' 70' ' ' LEU . 21.6 t70 -75.47 -34.97 60.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.14 -45.11 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -54.71 -40.61 69.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.489 ' OE1' ' CD1' ' A' ' 19' ' ' TYR . 3.1 tp-100 -70.76 -49.7 43.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.812 HD12 HD11 ' A' ' 61' ' ' LEU . 5.4 tp -59.59 -43.37 93.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.54 -44.77 89.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -62.3 -43.27 99.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.489 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 2.2 m-85 -71.97 -55.32 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.28 -20.81 57.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 mm-40 -65.57 -46.04 80.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.61 -42.34 96.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 169.9 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 24' ' ' THR . 0.9 OUTLIER -155.01 23.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -78.48 179.03 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -105.25 135.81 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.28 -24.1 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -22.7 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.38 -45.73 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 60' ' ' TYR . 70.8 t -72.26 -31.89 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -58.25 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 7.2 pttp -58.47 -31.55 67.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.506 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 5.2 mt -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 14.1 m-85 -81.33 -13.72 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.47 -57.55 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.75 -32.45 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.02 -170.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.06 -32.75 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.572 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 29.6 mmt -56.24 -16.54 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -75.38 -2.77 30.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.53 -13.13 62.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -128.23 49.52 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 48' ' ' ILE . 69.1 t -139.98 129.16 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.62 116.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 60.62 30.82 73.1 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.593 ' O ' HD12 ' A' ' 96' ' ' LEU . 3.9 t70 82.52 -4.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 93' ' ' VAL . . . -100.3 134.84 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.44 ' HB ' HG22 ' A' ' 43' ' ' VAL . 9.9 tt -107.8 156.05 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.81 -174.24 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CD1' ' CG ' ' A' ' 75' ' ' PHE . 4.4 t80 -80.79 -34.03 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -44.88 67.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.45 -40.24 68.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.67 -26.59 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.01 -43.69 82.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.235 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.516 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.5 pt20 -74.25 -22.93 59.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.241 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.475 ' CE1' ' CG ' ' A' ' 60' ' ' TYR . 19.9 t80 -68.28 -48.57 64.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.677 HD11 HD13 ' A' ' 74' ' ' LEU . 3.8 mt -54.88 -23.43 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -66.57 -59.55 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.686 ' H ' HD12 ' A' ' 59' ' ' ILE . 5.0 mp -72.61 -48.15 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 6.5 t80 -49.03 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.812 HD11 HD12 ' A' ' 16' ' ' LEU . 8.2 mt -71.0 -7.42 46.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.7 OUTLIER 66.01 9.9 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.656 HG21 HG23 ' A' ' 66' ' ' VAL . 1.8 m -71.48 149.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.14 -13.91 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -163.26 103.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.768 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -93.74 147.88 34.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 133.7 16.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 69' ' ' HIS . 4.5 ptt180 -63.35 -26.8 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.42 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 3.5 t-160 -59.04 -45.78 89.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.594 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.882 HD12 ' OD1' ' A' ' 12' ' ' ASP . 3.0 tp -72.01 -43.54 64.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -56.82 -41.44 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.38 -49.27 77.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -67.62 -30.33 69.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.757 HD12 ' HG ' ' A' ' 70' ' ' LEU . 6.4 mt -67.41 -44.7 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 29.5 t80 -75.0 -53.87 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -52.63 -20.89 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 8.4 t -44.96 -50.75 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 77' ' ' SER . 2.9 m-85 -152.07 -175.29 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.47 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 17.1 m -119.74 175.3 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 48' ' ' ILE . 87.1 t -133.78 150.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.9 t -75.69 137.74 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -85.13 -50.99 6.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -52.85 -39.88 62.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.84 -54.52 46.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.645 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 68.4 t -61.77 -38.0 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 31' ' ' LEU . 35.4 t -61.55 -23.24 65.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -41.48 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.467 ' CZ ' HD11 ' A' ' 106' ' ' LEU . 44.4 t80 -64.16 -55.79 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.645 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 13.3 m-85 -58.61 -25.89 63.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.1 t -61.8 -40.74 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -30.39 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 ' CZ ' ' A' ' 102' ' ' TYR . 1.1 mp -58.42 -64.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.537 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.625 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -48.52 14.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -37.78 60.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.91 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -57.61 -57.33 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' HD22 ' A' ' 70' ' ' LEU . 14.6 tm0? -54.99 -55.58 29.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.837 HD11 HD21 ' A' ' 74' ' ' LEU . 4.3 mt -54.65 -41.85 70.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.86 -60.35 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -51.43 -59.01 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.76 ' HB3' HD22 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -51.41 -53.65 34.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.667 ' SD ' HD23 ' A' ' 106' ' ' LEU . 91.9 mtp -57.41 -47.71 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -44.85 -37.59 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.335 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -36.98 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.18 158.61 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -137.39 14.25 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -175.4 3.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.1 mttt -134.76 141.65 46.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.656 HG23 ' CE1' ' A' ' 56' ' ' PHE . 13.1 p -71.48 -31.25 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -63.3 -42.04 99.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.042 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.82 -38.78 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 26' ' ' LYS . 22.2 t -59.85 -37.28 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.893 ' CD2' HD22 ' A' ' 96' ' ' LEU . 41.2 mt -60.72 -24.3 65.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -58.58 -25.52 62.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.619 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 3.1 mt -82.51 -27.66 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 39' ' ' MET . 30.4 m-85 -76.68 -11.49 59.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 10.9 pt-20 -103.33 -45.29 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -114.97 -33.02 5.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.619 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -62.78 155.28 41.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.45 -22.47 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.568 ' HG2' ' CE1' ' A' ' 34' ' ' PHE . 16.1 tpp -62.12 -12.07 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.28 -2.37 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -73.95 -30.4 62.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -105.07 33.24 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 47' ' ' ALA . 78.3 t -125.53 128.6 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -97.27 95.99 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 -95.99 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -122.22 22.1 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.7 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -132.19 178.09 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.558 HD11 ' HA3' ' A' ' 52' ' ' GLY . 15.1 tt -145.31 152.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.07 -175.43 50.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -70.89 -40.11 72.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.07 -17.34 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.558 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -74.82 -24.0 73.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.74 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -69.79 -51.65 32.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.22 -24.0 57.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.67 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 3.3 t80 -75.45 -46.08 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.06 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -54.59 -21.89 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 7.7 tttm -68.42 -59.45 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.471 HD12 ' HE3' ' A' ' 39' ' ' MET . 19.3 mt -73.85 -45.33 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.67 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 3.9 t80 -39.69 -64.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -91.12 -7.69 50.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.53 4.02 4.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.536 HG21 HG23 ' A' ' 66' ' ' VAL . 1.1 m -51.12 158.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -96.68 -9.2 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.57 116.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.97 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -101.88 147.9 34.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.673 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.1 Cg_endo -75.02 120.24 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -30.56 64.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -53.09 -51.1 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.572 ' HG ' HD12 ' A' ' 74' ' ' LEU . 1.1 tp -70.09 -46.47 64.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -56.39 -26.36 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.84 -49.07 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.27 -34.48 68.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.06 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.8 mt -56.18 -41.66 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.477 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . 21.2 t80 -71.68 -36.54 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.19 -41.03 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -45.63 -63.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -120.34 129.72 54.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HG3' ' CE1' ' A' ' 75' ' ' PHE . 4.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.487 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 2.2 m -107.38 139.14 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -121.11 133.42 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.4 t -64.24 130.14 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.893 HD22 ' CD2' ' A' ' 31' ' ' LEU . 3.9 mt -70.04 -44.21 69.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -50.19 -34.12 21.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.472 ' OD1' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -70.32 -37.94 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.41 -38.69 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 104' ' ' SER . 12.0 t -56.11 -23.6 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 109.982 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.7 -51.79 10.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -53.12 -54.99 27.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.466 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.48 -33.07 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 100' ' ' SER . 2.2 t -59.02 -29.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.7 -41.82 59.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.667 HD23 ' SD ' ' A' ' 20' ' ' MET . 8.5 mp -58.12 -57.74 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -50.93 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.1 -35.03 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -72.01 -36.37 69.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -69.77 -38.78 76.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.596 ' OE1' ' CD2' ' A' ' 19' ' ' TYR . 2.7 tp-100 -63.46 -52.84 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.629 ' CD1' HD21 ' A' ' 70' ' ' LEU . 2.2 tp -58.63 -48.55 80.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -63.94 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.03 -52.74 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.596 ' CD2' ' OE1' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -63.29 -51.5 65.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -61.61 -24.02 66.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -65.29 -53.87 37.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.49 -44.15 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.23 163.28 25.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -126.31 17.46 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -176.88 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -134.97 147.5 49.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.674 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 8.2 p -64.7 -30.99 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -75.96 -47.68 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.9 -35.24 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 100' ' ' SER . 13.2 mt -71.27 -37.13 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.6 -22.15 55.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.2 mt -77.69 -33.69 53.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.517 ' CG ' ' HB3' ' A' ' 39' ' ' MET . 7.3 m-85 -80.55 -13.83 58.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.34 -57.72 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 -32.45 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -50.8 -176.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.41 -29.36 67.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.517 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -56.83 -16.5 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.28 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 16.3 ptpt -67.89 -35.32 78.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 21.6 m-30 -110.4 41.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 39' ' ' MET . 81.2 t -123.24 141.7 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -113.64 80.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.69 -97.74 1.86 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 96' ' ' LEU . 31.3 m-20 -123.78 1.47 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.758 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -105.25 144.92 31.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.585 HG23 ' HG ' ' A' ' 96' ' ' LEU . 11.4 pt -109.97 158.6 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 156.25 21.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -59.68 -36.52 76.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -72.54 -48.52 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.6 -39.08 65.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.697 ' HE1' HD11 ' A' ' 57' ' ' LEU . 9.7 t80 -55.84 -26.85 48.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.05 -31.41 72.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -34.37 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.674 ' HZ ' HG23 ' A' ' 27' ' ' VAL . 65.6 t80 -56.19 -43.49 78.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.931 ' HB3' HG21 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -59.96 -22.25 62.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -70.04 -59.49 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.52 -47.87 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 3.6 t80 -40.69 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.708 HD11 HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -80.04 -4.17 51.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 65.77 10.51 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.622 HG21 HG23 ' A' ' 66' ' ' VAL . 3.8 m -62.56 160.6 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -102.32 -9.32 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.72 112.94 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.931 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -99.64 147.65 33.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.618 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.02 140.98 26.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -71.45 -29.36 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -56.56 -49.59 74.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.63 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.706 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.9 tp -71.65 -46.46 58.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -32.04 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 72' ' ' LEU . 3.5 tp -69.73 -48.9 57.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . . . -70.35 -27.02 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.2 mt -67.32 -30.07 69.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.455 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.3 t80 -74.35 -55.27 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.471 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 5.3 pt20 -62.55 -23.49 67.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 t -50.82 -28.07 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 98' ' ' ASP . 2.8 m-85 -143.71 162.8 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.758 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 28.7 m -108.03 173.57 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.482 HG13 ' CG1' ' A' ' 48' ' ' ILE . 2.5 p -148.03 152.22 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.95 137.41 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -68.56 -50.7 49.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.25 -42.76 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.9 m-20 -58.18 -41.18 83.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.64 -35.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.636 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.7 t -68.81 -26.45 65.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -37.23 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -73.04 -48.86 32.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 5.3 m-85 -67.87 -26.1 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 t -64.82 -25.02 67.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.05 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.44 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -0.1 9.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -48.29 14.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.727 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -74.86 -35.49 62.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -45.32 80.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.91 15.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.57 -53.9 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 16' ' ' LEU . 5.3 tp -58.13 -41.73 84.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -56.69 -55.44 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -59.16 -59.02 6.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 61' ' ' LEU . 1.8 m-85 -51.58 -53.6 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 27.1 mmm -52.92 -49.24 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -40.93 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -39.31 69.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -78.17 136.33 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -132.37 18.02 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -179.74 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -105.09 146.87 28.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.96 -34.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -65.45 -32.78 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.09 -40.46 68.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 60' ' ' TYR . 45.7 t -72.34 -37.78 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 31' ' ' LEU . 31.8 mt -66.94 -25.54 66.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -58.98 -25.77 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD12 HG21 ' A' ' 59' ' ' ILE . 11.1 mt -73.43 -31.95 64.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 56' ' ' PHE . 52.3 m-85 -80.83 -14.1 58.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.93 -57.57 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.02 -32.09 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.22 -172.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.35 -18.2 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' HD11 ' A' ' 59' ' ' ILE . 34.7 mmm -71.74 -3.76 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.81 -2.5 43.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -15.98 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -110.84 26.69 10.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 47' ' ' ALA . 8.9 t -112.39 136.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.783 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 3.8 mt-30 -131.64 122.97 26.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' ALA . . . 41.8 69.21 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.76 24.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 44' ' ' GLN . . . -129.79 175.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' VAL . 9.1 tt -138.91 150.9 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.98 -170.98 29.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.75 -57.01 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -35.39 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.42 -28.82 59.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.746 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -74.99 -52.71 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -31.49 71.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -74.63 -38.58 62.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 60' ' ' TYR . 1.6 t80 -56.88 -45.06 82.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.951 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -55.09 -22.38 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -59.47 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.543 HG21 HD12 ' A' ' 33' ' ' LEU . 13.7 mt -72.49 -46.76 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 28.0 t80 -46.41 -65.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.4 mp -85.67 8.91 17.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.1 28.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 61' ' ' LEU . 11.9 m -77.21 167.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.62 -5.52 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.3 117.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.722 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -103.29 147.6 34.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.722 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.99 124.59 8.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -32.92 70.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -43.64 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.557 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.65 ' HG ' HD12 ' A' ' 74' ' ' LEU . 1.7 tp -73.43 -48.49 33.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -24.16 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 72' ' ' LEU . 4.3 tp -75.18 -49.14 20.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.727 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -72.82 -33.01 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.951 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.0 mt -53.19 -50.8 63.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -74.1 -41.26 61.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -24.48 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' ALA . 32.0 p -73.47 -35.92 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.412 ' CZ ' HG22 ' A' ' 99' ' ' VAL . 37.7 m-85 -88.21 -85.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 6.0 m -142.17 168.53 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ILE . 93.3 t -148.5 152.66 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.646 ' O ' HG23 ' A' ' 99' ' ' VAL . 36.5 t -75.41 133.91 41.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.77 -44.37 18.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -61.26 -33.82 74.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' CB ' ' HB3' ' A' ' 95' ' ' CYS . 12.6 t70 -68.31 -41.57 80.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 95' ' ' CYS . 96.2 t -71.94 -28.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -71.66 -26.77 62.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.7 t -76.3 -48.1 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.49 -53.56 54.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.645 ' CD2' HG12 ' A' ' 99' ' ' VAL . 1.8 m-85 -58.9 -33.84 71.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 t -59.65 -37.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.35 -50.97 26.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.454 ' HB3' ' HE2' ' A' ' 20' ' ' MET . 0.7 OUTLIER -49.75 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.41 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.99 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.3 -50.15 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.621 ' OD1' ' HB3' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -75.61 -38.13 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 5.7 t80 -62.9 -36.16 82.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -61.49 -56.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.36 -56.42 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.967 HD13 HD11 ' A' ' 70' ' ' LEU . 3.0 tp -56.54 -44.41 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 15.0 tt0 -61.7 -62.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -48.76 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.764 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.3 m-85 -64.46 -54.03 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.458 ' HG3' HD21 ' A' ' 61' ' ' LEU . 51.6 mtp -53.65 -49.65 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -24.43 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.64 140.26 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -120.51 15.85 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -94.05 -176.71 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -134.77 142.03 46.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.538 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 9.3 p -64.51 -33.69 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -65.48 -26.29 67.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -76.16 -48.12 21.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.791 HG21 ' HA ' ' A' ' 60' ' ' TYR . 97.4 t -67.29 -29.81 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -56.96 -54.51 45.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 5.8 pttt -58.74 -28.48 65.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 33' ' ' LEU . 6.5 mt -67.91 -38.24 82.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 0.8 OUTLIER -81.17 -13.46 58.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -84.94 -57.69 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -32.41 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.235 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.13 -175.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.58 -23.09 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.56 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -67.83 -7.01 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.69 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -111.82 37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 47' ' ' ALA . 76.0 t -124.15 129.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 11.0 mt-30 -118.9 123.65 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.29 44.93 52.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.92 19.34 11.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.595 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -124.87 174.44 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.578 HD13 ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -137.59 149.2 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.578 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -102.06 -177.64 27.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -69.93 -30.37 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.16 -55.58 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.52 -37.78 61.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 74' ' ' LEU . 38.8 t80 -57.08 -26.33 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 111.051 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.61 -43.32 89.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.36 -21.94 59.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.538 ' HZ ' HG23 ' A' ' 27' ' ' VAL . 57.3 t80 -70.86 -45.77 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.845 HD11 HD13 ' A' ' 74' ' ' LEU . 7.9 mt -60.35 -23.53 64.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 18.8 tttm -66.5 -60.07 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 55' ' ' GLN . 4.7 mp -73.24 -48.46 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.791 ' HA ' HG21 ' A' ' 30' ' ' VAL . 8.9 t80 -47.72 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.764 HD22 ' HB3' ' A' ' 19' ' ' TYR . 9.0 mt -76.37 -1.91 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.37 16.85 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -76.15 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.01 -11.12 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.26 115.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.781 HG23 HG21 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -98.37 147.38 33.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.693 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 138.3 22.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -29.97 68.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.01 -42.46 80.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.967 HD11 HD13 ' A' ' 16' ' ' LEU . 3.8 tp -73.57 -41.93 62.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -30.52 62.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.2 -47.31 51.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.621 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -69.88 -36.08 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 57' ' ' LEU . 3.8 mt -52.84 -51.92 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -53.13 -24.23 9.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 t -63.56 -53.18 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.85 143.92 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 33.6 m -127.39 176.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.9 p -162.03 157.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.4 t -74.9 135.38 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -43.66 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.64 -32.94 70.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.89 -40.29 91.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.1 -32.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.703 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.7 t -73.6 -22.6 59.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.11 -47.24 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 108.261 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.88 -54.12 46.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.57 -33.94 70.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.9 t -59.11 -30.33 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.552 ' N ' HD23 ' A' ' 105' ' ' LEU . 3.1 mt -74.48 -36.02 63.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.92 -45.46 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.0 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -79.42 -52.05 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.596 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -76.6 -39.54 52.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 9.6 t80 -63.66 -39.08 93.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -62.24 -55.82 24.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -53.39 -55.99 20.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.715 HD23 HD11 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -58.64 -50.09 75.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -55.44 -44.85 76.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 7.1 tttt -68.82 -59.15 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.703 ' CD2' HG11 ' A' ' 63' ' ' VAL . 5.3 m-85 -48.53 -31.24 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' SER . 10.0 tpp -77.39 -38.71 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -40.57 -33.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.524 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -86.51 -36.96 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -74.87 123.81 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 24' ' ' THR . 1.7 t -125.89 16.92 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.26 -179.49 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -104.92 140.27 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.21 -22.93 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -70.04 -24.47 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -45.44 55.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.6 t -70.53 -27.52 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -58.49 -56.03 27.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -58.88 -34.98 72.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -56.19 -43.81 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 12.0 m-85 -81.89 -13.76 57.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.7 mm-40 -85.15 -57.87 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -113.93 -32.44 6.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -60.24 157.98 27.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -46.56 -28.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.477 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 8.7 mmt -56.88 -16.55 6.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -77.19 -2.5 34.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -27.22 67.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -109.61 31.27 5.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 47' ' ' ALA . 77.7 t -124.27 129.41 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.44 131.35 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.39 -98.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -135.34 19.3 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -131.83 170.27 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 9.3 tt -131.18 157.59 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.2 -175.18 42.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 26.2 t80 -78.96 -25.64 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.42 67.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.3 -40.84 98.24 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 99' ' ' VAL . 2.5 m-85 -54.74 -27.88 44.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.51 -61.04 2.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.24 -28.24 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 16.7 t80 -58.41 -51.44 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.882 HD21 ' CD1' ' A' ' 74' ' ' LEU . 4.2 mt -54.72 -22.33 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -66.65 -59.06 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.6 -47.97 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.74 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 8.8 t80 -49.25 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.715 HD11 HD23 ' A' ' 16' ' ' LEU . 9.5 mt -69.09 -8.89 49.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.67 32.85 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.703 HG11 ' CD2' ' A' ' 19' ' ' TYR . 1.8 m -97.06 161.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -97.36 -14.09 21.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -163.53 106.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.776 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -95.02 148.7 35.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.776 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.1 Cg_endo -74.97 128.62 11.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -35.27 74.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -38.83 62.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.596 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.9 tp -74.21 -46.19 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 p -57.44 -30.52 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 tp -70.17 -49.22 52.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.27 -33.11 71.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.882 ' CD1' HD21 ' A' ' 57' ' ' LEU . 5.4 mt -54.71 -43.37 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 50' ' ' TYR . 3.6 t80 -68.61 -48.29 64.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.36 -46.19 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 t -45.97 -60.29 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -121.48 126.89 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.506 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 5.5 m -118.02 171.15 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.15 153.46 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 98' ' ' ASP . 1.2 m -74.93 136.53 41.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 108.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -54.3 10.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -55.07 -31.64 61.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.455 ' HB2' ' CB ' ' A' ' 95' ' ' CYS . 0.4 OUTLIER -65.82 -43.61 88.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.552 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 53.4 t -67.73 -32.31 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.6 t -66.04 -24.12 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.2 t -77.0 -50.68 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 108.34 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.429 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 27.9 t80 -60.77 -54.35 46.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.74 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-30 -58.29 -33.27 69.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.5 t -58.97 -35.09 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -36.66 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.418 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.93 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -39.73 63.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.911 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -74.74 -50.32 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -40.75 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.36 96.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' OE1' ' CD1' ' A' ' 19' ' ' TYR . 2.8 tp60 -70.84 -52.68 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.764 HD11 HD21 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -52.38 -45.28 65.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -56.26 -63.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.19 -53.22 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.591 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 1.8 m-85 -57.71 -42.79 84.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 mtp -61.68 -44.92 96.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -53.85 5.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -39.62 68.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 134.17 41.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 24' ' ' THR . 1.3 t -117.02 20.42 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -97.7 164.1 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 4.9 mmtm -105.09 146.01 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.61 -23.36 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -65.95 -32.52 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.28 -41.4 70.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.91 HG21 ' HA ' ' A' ' 60' ' ' TYR . 54.4 t -74.18 -25.52 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -63.65 -54.89 28.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -58.2 -31.35 67.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.1 mt -59.71 -45.16 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 15.0 m-85 -81.54 -13.67 57.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.3 mm-40 -84.03 -57.74 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -115.95 -32.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -54.9 176.19 0.5 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.42 -21.5 66.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.585 ' SD ' HD12 ' A' ' 59' ' ' ILE . 33.8 mmt -66.24 -8.52 25.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.61 -2.19 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.2 -12.07 59.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.565 ' CD1' ' HA2' ' A' ' 52' ' ' GLY . 12.7 m-85 -108.29 18.54 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -119.62 128.42 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -123.04 125.8 45.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.79 31.57 46.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.504 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 1.4 t0 80.43 -1.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -106.68 130.1 54.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 94' ' ' VAL . 6.1 tt -92.85 150.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.8 165.21 29.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.66 -37.89 83.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 1.4 tt0 -68.12 -46.58 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.565 ' HA2' ' CD1' ' A' ' 42' ' ' TYR . . . -56.54 -38.34 80.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -56.76 -27.62 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 3.5 mm-40 -61.45 -59.57 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.457 ' CD ' ' CD2' ' A' ' 42' ' ' TYR . 5.3 pt20 -57.16 -23.83 50.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 1.9 t80 -66.35 -50.83 62.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.906 ' HB3' HG21 ' A' ' 66' ' ' VAL . 3.7 mt -63.95 -22.63 67.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.9 tttm -68.07 -59.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.585 HD12 ' SD ' ' A' ' 39' ' ' MET . 50.3 mt -71.83 -48.48 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.91 ' HA ' HG21 ' A' ' 30' ' ' VAL . 15.3 t80 -45.6 -68.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 19' ' ' TYR . 4.8 mt -76.53 -13.58 60.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.82 4.91 5.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.655 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -61.03 158.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -86.94 -14.06 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.51 116.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.906 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -87.32 148.44 44.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.623 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 132.51 15.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -61.27 -32.51 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -53.31 -49.08 67.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.65 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.911 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.6 tp -74.74 -46.62 36.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.17 -25.24 58.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' ARG . 6.2 tp -75.1 -49.18 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.71 -26.99 62.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.825 HD13 HD11 ' A' ' 57' ' ' LEU . 5.8 mt -60.5 -40.64 92.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.35 -40.73 77.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.1 -20.58 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -68.68 73.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 36.8 t80 60.74 166.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.909 ' HA ' HG22 ' A' ' 94' ' ' VAL . 14.5 mp0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.576 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 7.1 m -134.85 161.74 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 79' ' ' GLU . 90.4 t -131.58 149.08 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.44 97.29 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 96' ' ' LEU . 1.5 pt? -48.32 -24.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -74.47 -47.32 34.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -26.94 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 103' ' ' PHE . 76.5 t -75.06 -30.76 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 31' ' ' LEU . 9.4 t -59.77 -33.32 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.15 -54.71 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.493 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.6 OUTLIER -52.61 -38.27 59.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -74.12 -31.04 62.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.5 t -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -37.1 63.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 102' ' ' TYR . 3.3 mm? -47.83 -51.37 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.0 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -49.04 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.633 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -74.9 -38.02 61.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.1 -35.31 79.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.9 -56.32 18.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -51.71 -56.06 15.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -56.47 -40.12 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -58.91 -57.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -60.18 -52.0 67.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.535 ' C ' HD22 ' A' ' 61' ' ' LEU . 4.5 m-85 -57.18 -37.71 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' SER . 40.2 ttm -71.84 -47.71 51.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -42.15 -50.98 4.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.09 -33.04 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -77.17 148.56 35.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -138.43 11.99 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -94.03 173.92 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -105.25 141.45 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.604 HG21 ' HD2' ' A' ' 103' ' ' PHE . 9.1 p -72.87 -33.59 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -29.19 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -32.56 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 33' ' ' LEU . 39.7 t -68.94 -36.57 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.97 -35.11 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.64 -29.97 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 30' ' ' VAL . 1.7 mt -80.93 -33.41 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -81.5 -13.65 57.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -87.39 -49.12 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 11.6 t70 -122.9 -34.0 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.565 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.45 165.64 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.32 -27.5 23.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 59' ' ' ILE . 37.6 mmt -56.57 -17.29 8.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.96 -2.31 33.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -64.42 -28.85 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -105.69 35.34 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.5 t -128.11 128.68 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -118.91 122.94 43.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.55 33.98 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 12.2 t0 77.23 1.72 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -106.48 137.55 44.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 96' ' ' LEU . 8.9 tt -113.88 153.19 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.73 -171.15 43.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.3 t80 -74.55 -56.3 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 4.9 tt0 -50.49 -47.2 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.01 -37.62 71.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.544 ' HE1' HG21 ' A' ' 99' ' ' VAL . 5.1 t80 -57.62 -28.04 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 3.5 mm-40 -59.92 -43.61 94.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.75 -32.32 73.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 22.5 t80 -60.51 -51.38 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.876 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -54.77 -22.23 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.4 tttt -67.92 -58.82 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.549 HD11 ' SD ' ' A' ' 39' ' ' MET . 1.2 mp -75.04 -48.2 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.749 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 3.1 t80 -47.4 -66.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD22 ' C ' ' A' ' 19' ' ' TYR . 7.0 mt -79.19 -7.77 58.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.9 tm-20 64.57 11.25 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.691 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -71.09 151.72 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -89.11 -8.26 54.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.91 116.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.876 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -100.42 147.24 33.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.665 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -75.0 143.37 28.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -32.77 69.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -55.58 -44.64 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.635 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.2 tp -69.32 -48.89 60.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -23.29 57.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.6 -48.82 24.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.492 ' HB3' ' CG ' ' A' ' 12' ' ' ASP . . . -72.42 -34.28 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.851 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.2 mt -55.09 -44.05 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' CE2' ' OE2' ' A' ' 79' ' ' GLU . 6.7 t80 -73.49 -47.56 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.29 -22.0 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.3 t -66.72 -68.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -120.24 151.76 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 75' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.464 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 19.4 m -128.4 156.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.3 151.77 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 97' ' ' ASN . 4.9 t -74.46 94.22 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 96' ' ' LEU . 1.3 pt? -48.58 -22.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 95' ' ' CYS . 12.6 t30 -66.77 -50.7 61.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.59 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 9.9 t70 -55.31 -29.88 59.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.544 HG21 ' HE1' ' A' ' 53' ' ' PHE . 24.3 t -74.25 -38.16 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -59.23 -26.37 64.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -77.14 -55.87 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.2 -40.45 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.749 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 m-30 -72.73 -37.7 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 t -59.66 -36.52 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.28 -44.71 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HB3' ' CE ' ' A' ' 20' ' ' MET . 4.2 mp -48.1 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -43.69 29.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.846 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 6.0 t70 -74.9 -41.95 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' HE1' HE21 ' A' ' 17' ' ' GLN . 8.0 t80 -63.49 -44.84 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.9 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.499 ' OE1' HD22 ' A' ' 70' ' ' LEU . 14.3 tm0? -50.89 -53.04 35.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.632 HD21 ' HE1' ' A' ' 103' ' ' PHE . 10.7 tp -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.471 HE21 ' HE1' ' A' ' 13' ' ' PHE . 1.3 mt-30 -63.16 -31.69 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -82.09 -46.26 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.981 ' CE2' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -68.02 -55.11 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 3.3 ppp? -53.05 -27.7 21.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -53.87 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -46.32 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 144.51 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.4 p -127.94 10.92 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -79.1 -179.42 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -105.11 143.33 33.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.78 -28.49 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -69.09 -23.38 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -41.37 66.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.731 HG21 ' HA ' ' A' ' 60' ' ' TYR . 76.1 t -75.13 -26.26 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.1 OUTLIER -64.49 -51.51 62.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.36 -31.68 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.0 mt -57.93 -41.84 83.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CZ ' ' HE2' ' A' ' 39' ' ' MET . 18.4 m-85 -81.58 -12.94 58.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -86.78 -51.12 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.33 -34.14 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.19 170.7 0.69 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -60.17 -14.24 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.489 ' HE2' ' CZ ' ' A' ' 34' ' ' PHE . 79.4 mmm -79.34 5.12 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.53 -2.27 58.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -76.23 -20.66 57.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -116.03 47.44 1.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.59 130.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -102.63 85.51 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.93 -88.3 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.62 22.44 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.527 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -138.38 131.48 30.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.547 HD11 ' CA ' ' A' ' 52' ' ' GLY . 16.1 tt -113.85 151.64 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.0 -175.31 47.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -61.02 -57.14 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.36 -33.07 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.547 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . -77.61 -29.25 55.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -55.34 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -29.0 62.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -35.39 76.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.69 ' CE2' HG12 ' A' ' 30' ' ' VAL . 37.7 t80 -57.33 -46.42 83.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.803 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -55.83 -22.17 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 21.0 tttt -69.55 -59.6 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.42 -47.49 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.731 ' HA ' HG21 ' A' ' 30' ' ' VAL . 2.4 t80 -40.06 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.2 mp -79.29 -9.34 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 5.4 tt0 71.71 7.12 5.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.981 HG11 ' CE2' ' A' ' 19' ' ' TYR . 1.9 m -55.47 153.38 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 -9.49 40.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.01 115.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.689 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -98.39 149.07 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.689 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.97 128.28 11.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' LEU . 1.6 ptp180 -60.75 -25.54 66.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.44 -48.1 81.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.756 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.5 tp -75.01 -46.48 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -25.22 66.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ARG . 12.2 tp -73.56 -49.26 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.846 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.803 ' CD1' HD21 ' A' ' 57' ' ' LEU . 5.8 mt -60.78 -47.06 88.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -74.96 -41.0 60.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -40.22 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.6 p -62.57 -49.62 74.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 94' ' ' VAL . 24.6 m-85 -101.35 107.33 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.527 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 10.5 m -107.32 160.2 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 78' ' ' PHE . 9.2 p -136.91 162.38 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.429 ' N ' HG22 ' A' ' 94' ' ' VAL . 1.7 m -74.29 136.68 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.89 37.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -58.34 -39.09 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.22 -37.54 80.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 78' ' ' PHE . 39.6 t -74.4 -47.06 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' ' 31' ' ' LEU . 10.0 t -54.64 -21.54 10.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -72.3 -46.07 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 106' ' ' LEU . 2.6 t80 -56.93 -52.74 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.632 ' HE1' HD21 ' A' ' 16' ' ' LEU . 22.8 m-85 -65.22 -40.4 94.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.8 t -59.28 -40.16 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -37.15 74.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 102' ' ' TYR . 4.3 mp -54.54 -66.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.463 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -50.63 13.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.96 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.67 -38.39 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -35.93 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.6 44.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.1 tp60 -51.61 -55.8 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 16' ' ' LEU . 7.3 tp -56.49 -41.56 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -56.64 -58.72 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.634 ' HB3' HD22 ' A' ' 61' ' ' LEU . 9.9 m-85 -51.83 -44.22 63.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.736 ' SD ' HD23 ' A' ' 106' ' ' LEU . 79.0 mtp -62.27 -56.08 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -53.17 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -39.27 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.0 165.78 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -142.57 63.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 169.62 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.7 mmtp -105.14 146.43 29.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.63 -31.86 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -64.45 -36.27 83.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.8 -33.89 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.569 HG11 ' HA ' ' A' ' 60' ' ' TYR . 72.7 t -73.89 -44.19 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.839 HD22 HD22 ' A' ' 96' ' ' LEU . 37.0 mt -67.64 -21.44 65.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -26.19 66.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.622 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 1.2 mt -82.49 -27.58 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 31.5 m-85 -77.3 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 11.2 pt-20 -103.84 -45.45 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -114.29 -32.74 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.622 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -67.18 168.95 36.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.69 -25.64 67.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -55.98 -16.97 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -75.52 -2.48 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -68.02 -26.24 65.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.406 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 3.9 m-30 -111.92 44.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 47' ' ' ALA . 75.7 t -126.96 128.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.708 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 28.2 mt-30 -117.62 121.93 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.3 58.8 4.96 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.62 22.06 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 44' ' ' GLN . . . -124.93 168.22 13.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.552 HG22 ' HG ' ' A' ' 96' ' ' LEU . 3.9 tt -141.78 151.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.16 175.81 43.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -68.46 -30.44 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.4 -54.79 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -54.44 -31.23 51.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.833 ' CE2' HD11 ' A' ' 57' ' ' LEU . 75.2 t80 -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.24 -44.47 95.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.714 ' O ' HD12 ' A' ' 59' ' ' ILE . 9.3 pt20 -75.85 -22.56 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 25.4 t80 -68.27 -40.01 82.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.833 HD11 ' CE2' ' A' ' 53' ' ' PHE . 2.3 mt -61.91 -22.69 65.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 1.3 tttt -69.82 -60.03 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 55' ' ' GLN . 4.2 mp -70.96 -45.81 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CD2' ' CD1' ' A' ' 61' ' ' LEU . 2.5 t80 -39.98 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.5 mp -83.48 -3.15 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.491 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER 69.22 6.0 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.556 HG21 HG23 ' A' ' 66' ' ' VAL . 2.0 m -55.03 152.59 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.54 -9.25 44.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 116.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -98.64 147.4 33.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.631 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.01 134.53 17.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -35.12 80.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -53.33 -41.93 66.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.96 HD12 ' OD2' ' A' ' 12' ' ' ASP . 1.7 tp -74.07 -47.59 35.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -23.19 47.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 tp -74.96 -46.87 32.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.75 64.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.742 HD22 ' HZ ' ' A' ' 53' ' ' PHE . 4.9 mt -53.44 -56.82 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 50' ' ' TYR . 12.3 t80 -62.63 -42.15 99.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -52.75 -45.05 66.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.543 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 25.2 t -85.18 48.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 77' ' ' SER . 0.9 OUTLIER 176.91 109.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.71 160.18 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.41 152.96 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.9 m -75.14 135.29 41.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.839 HD22 HD22 ' A' ' 31' ' ' LEU . 1.2 mt -85.02 -43.24 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -61.9 -44.15 97.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.22 -44.15 88.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.42 -41.48 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.406 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 47.5 t -55.32 -22.64 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.93 -50.98 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.21 -49.82 73.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.485 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.3 m-85 -61.84 -33.45 74.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 t -65.17 -38.76 91.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.82 -32.33 61.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.736 HD23 ' SD ' ' A' ' 20' ' ' MET . 3.6 mp -47.66 -61.72 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -48.57 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.656 ' OD1' ' HB3' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -64.12 -42.63 96.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.94 -45.09 93.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -57.11 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.765 ' OE1' HD22 ' A' ' 70' ' ' LEU . 13.9 tm0? -51.2 -54.14 28.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.517 HD11 HD21 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -55.37 -48.43 74.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -59.9 -57.1 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -47.4 -55.36 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.825 ' HB3' HD22 ' A' ' 61' ' ' LEU . 2.0 m-85 -61.65 -48.53 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.617 ' HA ' HD23 ' A' ' 61' ' ' LEU . 52.9 ttm -56.9 -56.34 22.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.25 -53.43 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -35.82 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -78.75 165.27 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.3 p -137.08 10.91 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -84.32 -177.81 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -134.93 155.09 51.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.89 -32.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -69.38 -22.67 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -44.71 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 33' ' ' LEU . 71.9 t -73.87 -32.43 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -55.8 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -59.35 -22.26 61.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.578 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 16.8 mt -81.63 -28.13 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CE1' ' CD1' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -75.0 -10.99 60.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 15.1 pt-20 -103.62 -45.39 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -117.47 -33.33 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.578 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.52 -175.49 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.45 -16.42 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.589 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 17.5 mmt -74.78 -11.51 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.79 -2.63 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -75.24 -22.72 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.79 49.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.563 HG22 HD12 ' A' ' 48' ' ' ILE . 38.2 t -126.46 132.22 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -105.76 89.08 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.96 -95.27 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.39 13.5 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.551 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -131.64 139.76 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.701 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 10.3 tt -119.59 158.63 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.77 -170.89 40.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -65.98 -54.4 26.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -48.74 -33.93 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -81.14 -29.39 41.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -78.28 -38.68 42.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -36.04 69.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -73.67 -26.46 60.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HD1' HG11 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -61.59 -44.28 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.885 ' HB3' HG21 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -56.06 -21.44 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.2 tttp -64.27 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.685 ' H ' HD12 ' A' ' 59' ' ' ILE . 3.9 mp -70.4 -45.51 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 2.1 t80 -39.88 -69.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -87.46 -2.75 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 4.1 tt0 66.58 8.9 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.63 HG21 HG23 ' A' ' 66' ' ' VAL . 2.4 m -58.27 155.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.79 -9.99 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.4 117.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.885 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -95.02 147.55 33.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.634 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -53.74 -42.78 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.765 HD22 ' OE1' ' A' ' 15' ' ' GLN . 3.5 tp -74.12 -44.11 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -56.65 -33.41 66.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 72' ' ' LEU . 4.7 tp -68.62 -48.36 64.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.656 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -70.2 -29.28 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.869 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.9 mt -62.72 -48.82 77.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CE2' ' OE1' ' A' ' 79' ' ' GLU . 8.5 t80 -66.19 -40.5 90.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.14 -26.79 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -71.58 -48.9 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -123.85 126.73 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 57.9 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 1.1 m -114.6 177.95 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.22 159.13 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.9 t -75.14 140.12 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.15 -57.11 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -48.98 -30.28 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.6 m-20 -67.3 -41.83 84.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.449 HG13 ' CE1' ' A' ' 103' ' ' PHE . 79.4 t -72.53 -43.06 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.2 t -58.49 -23.72 58.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.1 -54.4 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.29 -42.66 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.496 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 5.6 m-85 -67.4 -30.0 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.9 t -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.29 -52.64 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -61.77 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.98 -4.91 16.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -50.03 11.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -74.94 -31.04 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.8 -42.54 93.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.85 71.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.657 ' NE2' ' CE1' ' A' ' 19' ' ' TYR . 15.8 tm0? -50.62 -53.08 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 61' ' ' LEU . 5.6 tp -62.01 -35.68 79.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.63 -56.95 15.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -60.43 -27.95 67.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -77.35 -42.66 35.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.521 ' HG3' HD21 ' A' ' 61' ' ' LEU . 91.7 mtp -78.01 -44.08 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 13.4 pt-20 -44.59 -47.27 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -73.65 -29.57 62.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.64 150.43 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.0 p -131.81 10.84 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -75.34 -176.69 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 136.68 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.731 HG22 HD23 ' A' ' 31' ' ' LEU . 1.4 p -70.1 -22.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.03 -40.86 81.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -75.59 -35.53 60.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.878 HG21 ' HA ' ' A' ' 60' ' ' TYR . 73.9 t -71.51 -29.22 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.731 HD23 HG22 ' A' ' 27' ' ' VAL . 2.2 mm? -67.02 -62.58 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -18.64 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.1 mt -66.52 -45.92 77.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.591 ' CZ ' ' CD2' ' A' ' 56' ' ' PHE . 19.6 m-85 -83.09 -12.69 56.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.62 -60.15 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -134.64 24.13 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -102.95 -156.24 25.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -23.62 47.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.55 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 32.3 mmt -83.82 11.34 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.24 -2.52 56.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 2.2 ptpt -83.36 -20.42 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 4.6 m-30 -112.0 39.63 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.3 t -123.28 135.22 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -103.5 89.09 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.93 -99.78 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.43 9.33 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.707 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -132.26 141.45 49.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 4.3 tt -109.14 153.92 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.77 173.88 54.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -72.02 -30.33 65.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.72 -51.56 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -55.77 -28.94 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -66.27 -27.09 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -60.48 -56.3 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' NE2' ' SD ' ' A' ' 39' ' ' MET . 7.3 pt20 -56.92 -30.18 63.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 2.7 t80 -56.88 -53.4 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.819 HD11 HD13 ' A' ' 74' ' ' LEU . 11.0 mt -58.54 -22.28 55.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -58.64 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 2.3 mt -73.21 -48.48 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.878 ' HA ' HG21 ' A' ' 30' ' ' VAL . 24.7 t80 -48.07 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 19' ' ' TYR . 7.2 mt -70.65 -7.67 46.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.47 13.46 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.762 HG21 HG23 ' A' ' 66' ' ' VAL . 2.9 m -70.69 155.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -13.03 52.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.73 117.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.762 HG23 HG21 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -96.31 147.87 33.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.97 137.4 21.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -35.79 78.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -52.71 -46.96 67.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.59 ' HG ' HD12 ' A' ' 74' ' ' LEU . 3.7 tp -74.28 -40.43 62.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.5 m -56.58 -35.99 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.99 -49.14 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.35 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.819 HD13 HD11 ' A' ' 57' ' ' LEU . 5.4 mt -56.48 -43.85 80.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -72.14 -39.44 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -57.36 -20.96 32.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.5 p -48.6 -39.55 24.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.774 ' CD2' HG13 ' A' ' 94' ' ' VAL . 59.8 t80 -118.09 -70.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.707 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 22.2 m -128.9 168.33 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.774 HG13 ' CD2' ' A' ' 78' ' ' PHE . 84.4 t -142.41 152.2 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.35 135.6 40.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 108.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.58 -25.1 49.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -74.96 -39.14 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' OD2' ' CE1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -64.03 -42.24 97.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.592 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 58.5 t -67.0 -28.06 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.658 ' HB3' HD11 ' A' ' 31' ' ' LEU . 10.3 p -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.09 -43.36 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -56.18 -51.76 66.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.592 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 5.8 m-85 -63.32 -41.36 98.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.0 t -58.91 -31.58 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 105' ' ' LEU . 2.3 tm? -65.54 -42.1 92.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -44.97 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.98 -2.12 12.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -46.56 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 3.3 m-20 -74.97 -40.05 60.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.66 -46.06 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -59.21 -43.04 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.574 ' HG3' ' CD2' ' A' ' 19' ' ' TYR . 4.2 tp-100 -62.92 -50.38 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.794 HD11 HD21 ' A' ' 74' ' ' LEU . 5.6 mt -63.62 -43.23 97.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.51 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -42.44 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.851 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.7 m-85 -72.05 -53.51 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -60.62 -21.44 62.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -53.5 57.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -22.84 67.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 118.37 29.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -118.44 14.77 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -178.96 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -105.19 142.96 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.668 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 12.4 p -72.79 -27.14 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.8 p -68.19 -22.69 64.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -73.21 -47.92 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 59' ' ' ILE . 93.0 t -66.99 -30.29 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -59.37 -52.66 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -58.23 -29.83 66.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.3 mt -65.82 -33.16 75.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.537 ' CB ' HD21 ' A' ' 96' ' ' LEU . 4.9 m-85 -79.47 -10.68 59.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -104.51 -45.16 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 7.4 t0 -114.27 -34.64 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.563 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.86 -171.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.48 -30.77 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 tpp -64.23 -9.04 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.66 -2.37 29.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -20.14 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.07 24.87 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -108.03 130.96 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.67 130.12 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 54.17 23.89 26.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 4.3 t70 82.89 -5.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.76 155.55 16.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 11.7 pt -96.62 159.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -111.86 -171.22 18.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 13.5 t80 -55.7 -57.76 10.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 0.729 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -64.06 -39.72 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.43 -24.85 66.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -76.19 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 50' ' ' TYR . 2.2 pm0 -64.6 -28.72 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -62.99 -32.66 74.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.731 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 42.1 t80 -64.5 -47.13 80.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 74' ' ' LEU . 2.4 mp -54.5 -22.22 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -68.33 -59.2 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.585 HG22 HG22 ' A' ' 30' ' ' VAL . 77.7 mt -73.13 -48.03 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 14.7 t80 -44.16 -69.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -74.71 -25.74 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER 83.28 12.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.492 HG21 HG23 ' A' ' 66' ' ' VAL . 5.7 m -66.47 165.8 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -5.08 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.39 117.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.688 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -102.5 147.62 34.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.688 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.05 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ttm105 -51.82 -26.23 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -59.16 -43.26 92.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.7 tp -71.62 -45.18 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -27.01 54.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 72' ' ' LEU . 6.5 tp -72.42 -47.1 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -72.56 -36.66 68.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.831 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.3 mt -52.74 -47.51 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.598 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 3.3 t80 -58.99 -45.34 90.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -52.85 -31.88 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.566 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.7 t -57.45 -61.07 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 77' ' ' SER . 1.0 OUTLIER -127.88 143.28 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.598 ' OE1' ' CD2' ' A' ' 75' ' ' PHE . 2.1 tt0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 23.5 m -123.74 172.98 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.447 ' CG2' ' CE1' ' A' ' 75' ' ' PHE . 93.5 t -140.65 151.4 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.5 t -76.15 144.24 40.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.537 HD21 ' CB ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -70.74 -43.26 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.96 -35.68 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.73 -46.89 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' CD2' ' A' ' 103' ' ' PHE . 61.7 t -68.81 -29.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 31' ' ' LEU . 38.7 t -73.82 -27.46 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.05 -49.44 15.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -54.41 -56.67 16.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.776 ' CE1' ' CE2' ' A' ' 60' ' ' TYR . 12.2 m-85 -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.7 t -59.18 -31.35 68.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.48 -44.47 51.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -57.75 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.25 -51.16 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.632 ' OD2' HD12 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -75.72 -35.16 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 106' ' ' LEU . 0.7 OUTLIER -61.59 -34.29 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -52.27 46.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.5 tp60 -52.27 -55.82 18.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD13 HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -51.71 -43.67 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -58.13 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -50.92 45.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.809 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.7 m-85 -60.3 -42.5 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.7 ttm -65.13 -48.23 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.5 -53.14 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.85 -39.59 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -77.96 175.72 9.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 24' ' ' THR . 1.5 t -144.06 17.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -88.78 -176.82 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.67 143.32 47.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.6 -36.98 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -24.57 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -44.03 38.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.913 HG21 ' HA ' ' A' ' 60' ' ' TYR . 88.3 t -74.93 -26.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -52.2 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -27.5 64.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 13.2 mt -69.51 -39.31 77.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.751 ' CZ ' ' HE2' ' A' ' 39' ' ' MET . 2.5 m-85 -81.59 -13.08 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -86.46 -51.16 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.76 -33.8 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.99 162.83 3.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -50.91 -21.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.751 ' HE2' ' CZ ' ' A' ' 34' ' ' PHE . 88.4 mmm -71.18 -3.94 22.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.15 -2.56 52.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -74.91 -18.08 60.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.175 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -112.4 43.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -137.45 131.88 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -102.8 79.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.52 -100.12 1.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.8 15.27 15.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.716 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -132.24 139.45 48.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.695 HD11 ' HA3' ' A' ' 52' ' ' GLY . 7.6 tt -112.91 157.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -171.17 42.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.94 -47.0 66.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -49.55 -55.58 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.695 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -56.53 -24.81 48.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.637 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -78.33 -55.11 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 1.3 pp0? -70.41 -34.45 72.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.484 ' OE1' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.755 ' CZ ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -69.59 -39.03 77.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.047 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.61 -22.25 12.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.8 tptp -67.9 -59.46 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.665 ' H ' HD12 ' A' ' 59' ' ' ILE . 3.2 mp -73.57 -47.89 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.913 ' HA ' HG21 ' A' ' 30' ' ' VAL . 6.7 t80 -40.38 -73.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.809 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.2 mp -76.78 -16.82 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 2.3 tm-20 77.41 12.91 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.576 HG21 HG23 ' A' ' 66' ' ' VAL . 5.8 m -67.22 168.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.65 -5.93 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.57 104.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.624 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -101.12 147.19 33.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.624 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.07 125.25 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.93 -30.21 65.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -58.01 -41.48 83.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.603 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.632 HD12 ' OD2' ' A' ' 12' ' ' ASP . 3.6 tp -74.47 -41.79 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 t -56.72 -51.81 67.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -49.5 75.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.44 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -62.89 -34.37 77.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.047 ' CD1' HD21 ' A' ' 57' ' ' LEU . 7.0 mt -66.09 -36.35 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.15 -54.09 12.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.508 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 13.8 mm100 -52.91 -34.84 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -44.87 -50.83 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -112.3 165.3 12.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.716 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 8.2 m -117.92 173.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.15 153.98 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.99 138.35 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.36 -34.47 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -65.16 -31.58 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -49.77 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.609 HG12 ' CD2' ' A' ' 103' ' ' PHE . 95.4 t -65.46 -33.83 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -64.09 -25.12 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.54 -54.42 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.53 -53.94 47.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.609 ' CD2' HG12 ' A' ' 99' ' ' VAL . 2.8 m-85 -61.32 -34.8 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -59.71 -33.19 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -51.27 35.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 1.3 mp -52.61 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.5 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -97.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.23 -42.9 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.28 -36.57 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' HB2' ' CA ' ' A' ' 9' ' ' SER . 12.7 t80 -77.54 -38.79 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.7 -48.15 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -51.48 -54.15 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.056 HD11 HD21 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -55.42 -54.73 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -54.97 -52.74 62.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 18.9 tttt -58.18 -52.17 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.783 ' HB3' HD22 ' A' ' 61' ' ' LEU . 1.7 m-85 -48.43 -31.22 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' SER . 2.3 tpp -77.52 -29.32 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -45.18 -35.12 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -89.46 -23.41 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -75.42 116.08 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.8 p -107.9 11.17 28.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.83 170.72 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -104.79 146.16 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.82 -29.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -65.22 -28.06 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -72.56 -44.45 62.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 59' ' ' ILE . 80.0 t -68.7 -24.86 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.1 OUTLIER -60.46 -52.04 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.232 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.83 -33.97 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.7 mt -57.58 -44.04 85.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.455 ' CZ ' ' CD2' ' A' ' 56' ' ' PHE . 13.9 m-85 -81.8 -13.82 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.9 mm-40 -84.41 -57.8 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.1 -32.38 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -57.65 156.68 16.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -25.18 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.474 ' SD ' HD11 ' A' ' 59' ' ' ILE . 68.6 mmm -63.4 -11.23 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -80.67 -2.59 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -9.81 48.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.732 ' CD2' ' NE2' ' A' ' 55' ' ' GLN . 36.1 m-85 -123.5 41.47 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.6 t -131.36 127.74 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -121.75 134.48 54.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.71 34.28 36.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.21 18.52 6.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -125.06 164.11 20.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 4.6 tt -131.85 151.54 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.7 175.06 33.8 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -57.36 -46.9 82.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -52.6 -53.14 50.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.541 ' HA2' HE21 ' A' ' 55' ' ' GLN . . . -55.0 -27.95 47.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -26.96 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.34 -61.11 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.732 ' NE2' ' CD2' ' A' ' 42' ' ' TYR . 24.8 pt20 -60.93 -28.59 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 8.6 t80 -56.75 -53.11 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.834 ' HB3' HG21 ' A' ' 66' ' ' VAL . 11.5 mt -54.64 -22.22 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -57.83 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.631 HG22 HG22 ' A' ' 30' ' ' VAL . 13.0 mt -76.35 -47.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 3.5 t80 -49.13 -62.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.025 HD11 HD23 ' A' ' 16' ' ' LEU . 11.3 mt -86.37 11.44 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 39.26 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.689 HG21 HG23 ' A' ' 66' ' ' VAL . 2.7 m -86.41 153.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.453 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 14.8 p-10 -85.06 -10.67 56.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -174.93 117.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -99.37 147.29 33.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.681 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -75.0 132.28 15.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.39 -36.22 83.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -53.2 -41.41 65.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.634 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.8 tp -75.01 -44.61 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 m -56.67 -23.82 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.25 -48.43 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.22 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 16' ' ' LEU . 4.0 mt -53.06 -45.02 67.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.81 -48.81 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.66 -27.6 64.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -45.82 -28.84 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -146.96 -67.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 7.0 m -132.81 151.39 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.36 153.55 34.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.11 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -32.8 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.0 -38.05 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.89 -42.19 85.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.617 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 10.3 t -67.3 -28.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.669 ' HB2' HD11 ' A' ' 31' ' ' LEU . 15.6 t -67.21 -31.38 71.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -38.95 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 108.254 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.88 -56.9 13.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.617 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 9.3 m-85 -62.45 -27.2 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 t -60.03 -30.15 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.642 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -74.91 -36.89 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.353 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.33 -62.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.04 -2.69 12.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -79.73 -46.19 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.74 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.68 -37.14 67.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.83 81.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.586 ' CD ' ' CE2' ' A' ' 19' ' ' TYR . 3.1 tp-100 -71.34 -51.99 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.568 ' CD2' HD21 ' A' ' 61' ' ' LEU . 1.4 mt -51.6 -41.83 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.84 -56.34 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -48.91 -46.18 42.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.68 ' HB3' HD22 ' A' ' 61' ' ' LEU . 5.5 m-85 -63.82 -42.36 97.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.447 ' HE1' ' HB3' ' A' ' 106' ' ' LEU . 38.6 ttm -68.43 -40.56 81.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.39 -48.06 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.17 -41.97 94.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.82 159.12 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 24' ' ' THR . 1.3 t -147.41 18.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.12 -178.87 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 30' ' ' VAL . 12.3 mttm -104.6 146.43 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.35 -35.17 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -72.88 -27.14 61.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -75.5 -40.43 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.628 HG11 ' N ' ' A' ' 60' ' ' TYR . 98.6 t -73.2 -34.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 33.3 mt -70.43 -27.69 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -17.47 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -78.85 -39.7 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 39' ' ' MET . 3.4 m-85 -81.55 -14.46 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.97 -57.84 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.71 -32.34 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -55.69 164.66 4.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -54.14 -25.7 23.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 63.9 mmm -61.99 -13.08 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.27 -2.56 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -13.15 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -111.67 2.42 17.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 47' ' ' ALA . 2.2 t -94.41 140.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -108.99 80.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.18 -95.12 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.64 -8.05 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -105.19 174.09 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.813 ' HB ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -145.25 155.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' N ' HD13 ' A' ' 48' ' ' ILE . . . -75.03 176.84 49.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -81.2 -52.0 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -43.98 79.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.76 -39.48 67.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.641 ' HZ ' HG21 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -55.53 -27.67 50.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.7 -33.1 74.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.48 -37.92 68.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.451 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t80 -57.38 -46.16 83.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.797 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.1 mt -58.91 -22.12 58.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.462 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -70.04 -59.63 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.454 ' CG2' HG13 ' A' ' 30' ' ' VAL . 30.9 mt -72.03 -46.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.628 ' N ' HG11 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -39.51 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -82.21 -4.9 57.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.462 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 69.68 6.32 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.66 HG21 HG23 ' A' ' 66' ' ' VAL . 1.7 m -54.64 143.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.72 -11.03 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.14 116.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.797 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -91.81 147.5 35.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.653 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.93 133.05 16.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -62.37 -34.91 77.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -53.22 -45.51 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HD12 ' A' ' 74' ' ' LEU . 3.9 tp -72.64 -37.66 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -39.58 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.73 -49.23 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.29 69.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' A' ' 57' ' ' LEU . 8.8 mt -73.02 -37.23 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -72.69 -55.12 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -57.57 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.5 t -47.6 -54.84 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 94' ' ' VAL . 2.4 p90 -126.34 137.65 53.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.468 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -139.11 159.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 78' ' ' PHE . 59.8 t -150.85 146.48 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.1 t -75.88 120.08 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.813 HD12 ' HB ' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -75.2 -15.18 60.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.582 ' N ' HD22 ' A' ' 96' ' ' LEU . 5.1 t-20 -76.79 -47.44 21.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.49 -31.83 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 95' ' ' CYS . 22.1 t -73.87 -32.43 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 21.3 t -62.04 -22.9 66.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.08 -55.09 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -53.74 -50.05 66.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.652 ' CE2' HG12 ' A' ' 99' ' ' VAL . 5.3 m-85 -61.54 -37.87 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -58.97 -30.18 67.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -42.61 57.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.447 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 0.3 OUTLIER -49.51 -59.02 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.516 0.198 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.44 73.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 11.6 tptt -103.92 -130.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.59 ' HG3' HD11 ' A' ' 7' ' ' LEU . 9.8 tt0 79.37 149.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.02 35.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.56 102.47 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.59 HD11 ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -139.16 -172.18 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.1 pt -40.43 119.97 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.531 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -50.15 179.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.639 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.04 -1.64 11.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -79.47 -47.74 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.627 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 2.0 t80 -65.94 -33.33 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -66.82 -51.22 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.574 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -54.17 -56.24 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.647 ' CD1' HD21 ' A' ' 70' ' ' LEU . 1.1 mp -61.98 -40.45 95.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 4.8 tt0 -61.28 -61.04 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -56.93 -29.62 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -68.55 -54.14 18.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.532 ' HE1' ' HB3' ' A' ' 106' ' ' LEU . 4.0 ptp -72.68 -24.19 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 20' ' ' MET . 0.7 OUTLIER -51.81 -48.46 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -27.37 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -80.07 159.74 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 p -134.03 10.82 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -70.72 -177.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -135.31 142.56 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.34 -34.0 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 p -67.43 -22.92 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.1 -46.92 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.85 -29.97 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -54.7 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -34.66 71.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 4.3 mt -56.31 -43.7 79.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 21.7 m-85 -80.92 -13.27 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.71 -57.45 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -116.21 -32.71 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.19 -174.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -28.32 64.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.798 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.539 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -63.11 -11.37 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.9 -2.39 36.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -75.29 -17.32 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -121.4 37.59 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.2 t -122.47 135.68 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -104.29 81.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.09 -103.14 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.87 17.47 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.531 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -138.42 144.16 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.5 tt -119.05 151.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.53 -176.85 47.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -73.66 -52.98 11.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.9 -53.02 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.85 -30.81 53.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HZ ' HG11 ' A' ' 99' ' ' VAL . 2.1 t80 -64.85 -28.05 69.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.73 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -32.39 67.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 6.8 t80 -57.54 -52.59 64.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.926 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.5 mt -62.63 -23.64 67.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -59.55 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 51.2 mt -70.49 -46.8 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.3 t80 -44.23 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -83.68 7.58 17.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 61' ' ' LEU . 6.8 pt-20 47.43 24.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.583 HG21 HG23 ' A' ' 66' ' ' VAL . 10.9 m -76.93 162.49 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -97.35 -6.0 35.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.36 116.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.926 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -96.17 148.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.654 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.02 134.99 18.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -67.05 -25.23 66.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.647 HD21 ' CD1' ' A' ' 16' ' ' LEU . 3.9 tp -69.1 -41.43 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -32.94 65.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -47.61 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.627 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -71.97 -20.13 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.893 ' CD1' HD21 ' A' ' 57' ' ' LEU . 8.1 mt -70.56 -50.62 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 1.5 t80 -66.05 -41.7 90.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -54.88 -36.66 65.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -52.67 -53.57 45.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.13 133.3 35.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.725 ' C ' HG22 ' A' ' 80' ' ' THR . 0.9 OUTLIER -144.49 -166.55 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.725 HG22 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER 167.96 134.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.65 81.17 0.51 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -148.96 172.22 15.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.566 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.8 t -170.03 138.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.342 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.06 42.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.72 45.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.58 127.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -107.26 47.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -135.74 87.88 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 89' ' ' VAL . 64.7 t -101.13 38.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 91' ' ' LYS . 8.4 t -81.49 161.14 23.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.509 ' HG2' HG23 ' A' ' 90' ' ' THR . 8.2 ptmt 36.4 80.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -92.12 121.86 34.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.531 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 27.4 m -108.34 161.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.499 ' HA ' HG23 ' A' ' 80' ' ' THR . 1.6 p -138.19 148.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.7 t -75.05 136.28 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -39.37 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -58.56 -32.43 68.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.08 -45.99 65.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.505 HG11 ' HZ ' ' A' ' 53' ' ' PHE . 78.5 t -70.44 -35.26 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -26.74 68.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.2 t -77.14 -53.98 7.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.26 -44.9 76.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.12 -32.14 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -58.76 -26.05 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -44.57 68.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.532 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 0.2 OUTLIER -50.02 -66.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -54.51 -36.68 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -175.59 -82.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.36 106.36 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -112.59 96.21 35.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.65 15.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.64 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 177.05 115.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 151.07 25.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.33 176.05 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.48 129.51 14.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -106.53 71.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.519 0.2 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.43 53.8 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.17 -130.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.27 144.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.79 91.03 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.71 136.15 9.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 7' ' ' LEU . 2.3 mm? -90.9 86.54 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.892 HG22 ' HB1' ' A' ' 73' ' ' ALA . 10.6 pt -106.03 117.43 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.67 179.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.04 -0.16 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -48.47 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.943 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.06 -33.93 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.81 -44.12 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -59.5 -52.64 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.2 tp60 -50.51 -53.57 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 70' ' ' LEU . 1.4 tp -62.51 -49.84 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 20' ' ' MET . 7.9 tt0 -59.44 -18.77 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.479 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 24.6 m-85 -69.72 -44.14 70.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 17' ' ' GLN . 3.1 ppp? -68.69 -19.33 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 9.2 pt-20 -40.28 -47.26 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -85.06 -47.6 10.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 44.7 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 t -102.09 15.65 28.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -138.21 168.66 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.8 mmtm -105.39 139.56 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.23 -26.47 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.2 m -81.87 -34.9 29.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -34.62 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.768 ' HA ' HD12 ' A' ' 33' ' ' LEU . 22.8 t -67.77 -45.18 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 100' ' ' SER . 32.2 mt -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -20.89 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 30' ' ' VAL . 2.2 mt -80.73 -32.42 35.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 16.6 m-85 -81.41 -14.16 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.38 -57.77 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.24 -32.18 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.77 170.09 3.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.05 -29.51 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.454 ' SD ' HD11 ' A' ' 59' ' ' ILE . 36.8 mmt -58.32 -15.16 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -78.93 -2.39 39.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HE3' ' CE2' ' A' ' 42' ' ' TYR . 1.6 pttt -67.12 -31.26 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CE2' ' HE3' ' A' ' 41' ' ' LYS . 23.1 m-85 -108.11 33.95 3.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -117.84 130.97 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -101.81 81.09 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.4 -94.12 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.05 18.67 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 94' ' ' VAL . . . -138.71 138.8 38.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.6 tt -116.02 157.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.18 -179.92 52.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' CD2' ' N ' ' A' ' 51' ' ' GLU . 2.9 t80 -69.0 -57.0 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' N ' ' CD2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -50.86 -44.93 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.267 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.83 -39.99 70.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.613 ' HZ ' HG11 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -54.94 -27.69 45.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.013 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.62 -32.09 73.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -75.12 -29.94 60.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 49.4 t80 -68.76 -48.08 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.86 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.3 mt -59.58 -21.81 60.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 3.2 tttt -69.65 -59.48 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.454 HD11 ' SD ' ' A' ' 39' ' ' MET . 11.5 mt -73.84 -47.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.636 ' HA ' HG21 ' A' ' 30' ' ' VAL . 3.5 t80 -40.38 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.443 HD11 HD23 ' A' ' 57' ' ' LEU . 1.9 mp -75.32 -21.32 58.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER 82.28 10.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.646 HG21 HG23 ' A' ' 66' ' ' VAL . 4.3 m -65.09 157.68 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.66 -7.86 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -175.2 117.46 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -95.31 147.54 33.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.4 Cg_endo -74.98 137.94 22.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -66.74 -33.35 75.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -53.81 -47.08 71.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.943 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.3 tp -71.81 -46.7 57.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -23.67 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ARG . 9.8 tp -74.65 -49.2 22.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.892 ' HB1' HG22 ' A' ' 8' ' ' ILE . . . -71.58 -31.19 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.74 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.0 mt -58.77 -50.99 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 79' ' ' GLU . 19.8 t80 -71.9 -43.16 65.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.98 -31.06 38.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -55.57 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.27 142.02 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 75' ' ' PHE . 13.8 pt-20 -177.97 41.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLU . 17.4 p 52.13 105.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.77 101.8 0.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.62 94.6 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.552 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.741 ' C ' HD22 ' A' ' 84' ' ' LEU . 2.7 t -165.5 135.2 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.264 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 83' ' ' CYS . 3.2 mm? -122.56 42.05 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.2 108.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.7 133.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -80.15 55.24 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -145.94 54.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.09 74.93 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.6 t -127.69 2.33 6.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.35 103.01 4.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.59 165.05 37.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.8 m -136.54 174.19 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' ALA . 6.2 p -145.01 153.57 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.808 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.7 m -75.04 137.46 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mt -85.12 -57.95 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -49.26 -39.04 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -36.92 85.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 95' ' ' CYS . 82.6 t -74.81 -34.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.411 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 2.4 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.56 -48.99 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.445 ' CE1' HD13 ' A' ' 106' ' ' LEU . 1.8 t80 -53.07 -46.05 68.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.593 ' CD1' ' OH ' ' A' ' 60' ' ' TYR . 28.2 m-85 -67.65 -32.9 73.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.3 t -59.07 -41.13 87.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -37.59 67.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -52.59 -62.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.11 -31.42 71.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.42 -51.88 25.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.13 64.91 0.41 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.32 149.74 38.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.2 42.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -22.84 60.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.4 t0 177.87 113.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 177.39 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 mp -50.23 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.62 129.09 13.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -108.29 73.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 2' ' ' ALA . 10.0 ttp . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.474 0.178 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 40.12 36.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -174.54 -121.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 171.29 148.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.52 46.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.68 -75.97 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' CG1' ' A' ' 8' ' ' ILE . 22.0 mt 63.16 40.62 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.883 HD12 ' HB3' ' A' ' 12' ' ' ASP . 2.5 pt 40.7 45.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER 53.38 171.3 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.729 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.23 -50.6 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.883 ' HB3' HD12 ' A' ' 8' ' ' ILE . 4.9 m-20 -75.7 -48.8 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -63.39 -57.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -54.37 -56.35 19.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.847 HD23 HD11 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -50.65 -54.16 25.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.75 -59.32 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -49.9 -57.52 7.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.782 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.4 m-30 -54.42 -40.08 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 ttm -67.32 -45.46 76.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -53.19 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.79 -29.48 64.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.64 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -146.48 18.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -98.05 169.35 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -105.17 142.78 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.85 -28.65 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 p -65.85 -22.71 66.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -42.19 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.0 HG22 HG22 ' A' ' 59' ' ' ILE . 98.3 t -73.24 -32.71 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -53.88 50.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -33.28 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.4 mt -63.8 -36.77 85.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 6.1 m-85 -80.98 -13.59 58.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.95 -57.55 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -116.0 -32.46 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.62 -174.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.13 -34.52 77.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.569 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 34.1 mmt -57.53 -15.47 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.5 -2.7 30.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -30.23 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -113.61 38.04 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 t -123.38 139.77 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -101.91 100.35 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.83 -102.58 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.97 17.28 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -133.13 134.93 44.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -116.54 148.69 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -88.34 -179.2 46.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -69.86 -27.42 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 0.794 . . . . 0.0 110.951 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -47.11 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' HD11 ' A' ' 48' ' ' ILE . . . -60.87 -34.12 86.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.637 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -61.57 -28.31 69.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -55.15 -47.0 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -28.63 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.513 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 18.1 t80 -57.72 -48.87 78.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.931 ' HB3' HG21 ' A' ' 66' ' ' VAL . 4.5 mt -55.72 -22.0 21.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -69.37 -59.98 2.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.0 HG22 HG22 ' A' ' 30' ' ' VAL . 34.9 mt -72.11 -43.49 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.786 ' HE2' HD11 ' A' ' 16' ' ' LEU . 1.5 t80 -39.73 -72.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -87.21 -1.1 57.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER 67.52 7.98 5.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -54.57 162.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.13 -9.79 23.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.86 116.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.931 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -100.83 147.82 34.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.4 Cg_endo -75.03 128.41 11.44 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.788 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -32.38 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -53.43 -46.31 69.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.847 HD11 HD23 ' A' ' 16' ' ' LEU . 2.5 tp -72.14 -46.19 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -26.01 55.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.93 -49.05 26.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.81 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.845 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.2 mt -54.85 -44.72 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -72.67 -39.06 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -66.94 -26.1 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -62.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -175.18 157.87 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -49.32 -22.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' HIS . . . 98.58 -51.65 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' GLY . 55.6 m80 -40.01 129.3 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -176.24 158.29 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 84' ' ' LEU . 2.6 mm? 67.19 102.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.02 101.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.65 133.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 87' ' ' THR . 1.1 t -100.88 17.7 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -125.85 48.13 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 89' ' ' VAL . 59.5 t -118.46 38.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 t -102.5 -9.66 20.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.604 ' HD3' HG22 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -121.42 101.64 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -90.38 90.42 8.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.604 HG22 ' HD3' ' A' ' 91' ' ' LYS . 19.2 m -143.51 171.86 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.2 155.11 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.643 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -75.04 138.67 42.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.38 -32.7 64.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -65.84 -32.75 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.27 -39.65 62.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 95' ' ' CYS . 45.7 t -74.77 -29.56 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -65.8 -22.39 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.17 -54.98 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 108.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -54.05 -45.15 71.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.534 ' CD2' HG12 ' A' ' 99' ' ' VAL . 2.5 m-85 -66.73 -30.5 70.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' GLY . 31.6 t -63.8 -26.45 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -35.88 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -62.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 108' ' ' GLY . 11.2 pt-20 -51.84 -38.53 56.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 107' ' ' GLU . . . 125.44 67.16 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 104' ' ' SER . . . -135.81 61.16 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -60.72 149.24 80.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.45 43.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -25.58 33.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 t0 175.62 110.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -82.92 163.3 21.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.96 176.66 5.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -146.06 128.6 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -106.94 72.69 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.6 mtm . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.512 0.196 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.43 47.11 1.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -76.97 -124.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 68.32 142.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -144.85 48.63 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.06 110.22 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.1 mm? -73.7 155.84 38.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 12' ' ' ASP . 15.2 pt -89.76 13.63 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.7 172.51 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -50.17 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.814 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -75.47 -41.42 55.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.62 -34.68 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -56.92 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.6 tp60 -51.71 -56.22 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.671 HD13 HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -52.75 -42.74 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -58.08 -58.17 9.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -53.53 -57.92 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.896 ' HB3' HD22 ' A' ' 61' ' ' LEU . 8.9 m-85 -53.66 -41.27 66.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.6 ttm -69.5 -40.15 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -50.75 -34.52 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -41.07 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.88 143.24 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.5 p -135.86 11.26 3.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -81.4 -178.88 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.9 mmtt -105.08 143.15 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.87 -26.51 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -34.8 73.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -76.07 -30.59 58.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 60' ' ' TYR . 67.4 t -71.93 -37.0 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 96' ' ' LEU . 16.6 mt -70.9 -30.84 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -25.33 63.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 10.1 mt -73.88 -32.76 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 37.8 m-85 -81.39 -14.67 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.7 pt-20 -83.28 -47.52 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -129.44 -34.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -49.82 -178.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -36.29 77.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.66 ' SD ' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -58.65 -14.32 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . -74.63 -2.65 27.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -77.24 -21.65 53.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -122.45 51.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.573 HG22 HD12 ' A' ' 48' ' ' ILE . 74.7 t -133.35 131.64 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -104.36 81.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.368 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.28 -98.15 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.47 11.4 9.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -128.36 134.63 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.67 HD11 ' HA3' ' A' ' 52' ' ' GLY . 19.8 tt -117.19 156.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -172.7 42.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CE2' ' NH1' ' A' ' 68' ' ' ARG . 7.9 t80 -62.76 -52.07 64.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.62 -39.38 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.67 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -81.04 -38.84 14.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' HE1' HG11 ' A' ' 99' ' ' VAL . 33.5 t80 -65.41 -40.51 93.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.769 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -28.96 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.763 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 5.4 t80 -57.16 -45.25 83.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.917 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.1 mp -54.73 -22.35 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 45.5 tttt -68.62 -59.16 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.66 HD11 ' SD ' ' A' ' 39' ' ' MET . 44.2 mt -73.03 -47.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.763 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 2.3 t80 -40.25 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.896 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -85.8 -10.73 54.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.8 mt-10 73.75 2.99 4.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.62 HG21 HG23 ' A' ' 66' ' ' VAL . 1.5 m -50.74 152.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.17 -10.71 54.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.04 117.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.917 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -95.22 147.34 32.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -74.98 130.55 13.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.751 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' NH1' ' CE2' ' A' ' 50' ' ' TYR . 1.8 ttt-85 -62.34 -32.06 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -54.71 -44.74 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.58 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.686 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.5 tp -68.02 -46.55 70.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -27.04 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.02 -49.1 39.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.764 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -70.88 -31.48 68.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' A' ' 57' ' ' LEU . 7.0 mt -61.31 -40.9 95.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -74.16 -42.03 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -52.0 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -89.3 169.23 11.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -177.21 146.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.625 HG23 ' N ' ' A' ' 81' ' ' GLY . 8.9 t -131.27 -138.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.625 ' N ' HG23 ' A' ' 80' ' ' THR . . . 58.4 109.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -60.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 73.11 27.32 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 108.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 84' ' ' LEU . 2.6 mm? -121.94 40.97 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -165.15 101.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 70.37 135.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 87' ' ' THR . 53.8 m -83.08 49.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -128.9 89.02 2.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.24 39.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.4 t -65.09 -10.61 31.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -107.92 85.02 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.19 116.99 27.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.593 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 6.2 m -144.38 171.19 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 p -148.68 154.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.814 ' O ' HG23 ' A' ' 99' ' ' VAL . 51.4 m -74.96 134.93 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 48' ' ' ILE . 1.2 mt -82.0 -48.33 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -52.41 -39.44 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.17 -38.68 88.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 95' ' ' CYS . 92.9 t -72.55 -37.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.9 t -71.45 -47.0 58.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -55.85 -48.84 74.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.704 ' CE2' HG12 ' A' ' 99' ' ' VAL . 14.6 m-85 -65.46 -37.15 86.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 t -59.02 -37.36 76.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -72.81 -35.21 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -66.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.83 -33.52 75.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.45 -3.87 86.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . -132.73 38.68 1.84 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -64.16 118.2 44.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 153.76 41.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -118.73 -36.57 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.26 69.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 115' ' ' LEU . 12.8 mtmt -67.27 165.01 17.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.483 ' H ' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -37.38 153.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -138.46 121.06 16.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -107.96 72.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.538 0.209 . . . . 0.0 110.975 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.17 34.5 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -172.94 -124.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 163.77 154.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.457 ' H ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER 65.26 133.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.69 16.41 52.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' H ' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -75.75 -178.72 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.996 HD11 ' OH ' ' A' ' 102' ' ' TYR . 4.0 pt -73.31 120.82 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -51.71 179.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.01 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -51.3 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.882 ' OD1' HD12 ' A' ' 70' ' ' LEU . 21.6 t70 -75.47 -34.97 60.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.14 -45.11 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -54.71 -40.61 69.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.489 ' OE1' ' CD1' ' A' ' 19' ' ' TYR . 3.1 tp-100 -70.76 -49.7 43.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.812 HD12 HD11 ' A' ' 61' ' ' LEU . 5.4 tp -59.59 -43.37 93.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.54 -44.77 89.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -62.3 -43.27 99.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.489 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 2.2 m-85 -71.97 -55.32 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.28 -20.81 57.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 mm-40 -65.57 -46.04 80.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.61 -42.34 96.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 169.9 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 24' ' ' THR . 0.9 OUTLIER -155.01 23.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -78.48 179.03 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -105.25 135.81 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.28 -24.1 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -22.7 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.38 -45.73 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 60' ' ' TYR . 70.8 t -72.26 -31.89 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -58.25 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 7.2 pttp -58.47 -31.55 67.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.506 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 5.2 mt -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 14.1 m-85 -81.33 -13.72 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.47 -57.55 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.75 -32.45 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.02 -170.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.06 -32.75 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.572 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 29.6 mmt -56.24 -16.54 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -75.38 -2.77 30.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.53 -13.13 62.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -128.23 49.52 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 48' ' ' ILE . 69.1 t -139.98 129.16 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.62 116.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 60.62 30.82 73.1 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.593 ' O ' HD12 ' A' ' 96' ' ' LEU . 3.9 t70 82.52 -4.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 93' ' ' VAL . . . -100.3 134.84 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.44 ' HB ' HG22 ' A' ' 43' ' ' VAL . 9.9 tt -107.8 156.05 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.81 -174.24 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CD1' ' CG ' ' A' ' 75' ' ' PHE . 4.4 t80 -80.79 -34.03 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -44.88 67.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.45 -40.24 68.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.67 -26.59 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.01 -43.69 82.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.235 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.516 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.5 pt20 -74.25 -22.93 59.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.241 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.475 ' CE1' ' CG ' ' A' ' 60' ' ' TYR . 19.9 t80 -68.28 -48.57 64.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.677 HD11 HD13 ' A' ' 74' ' ' LEU . 3.8 mt -54.88 -23.43 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -66.57 -59.55 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.686 ' H ' HD12 ' A' ' 59' ' ' ILE . 5.0 mp -72.61 -48.15 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 6.5 t80 -49.03 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.812 HD11 HD12 ' A' ' 16' ' ' LEU . 8.2 mt -71.0 -7.42 46.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.7 OUTLIER 66.01 9.9 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.656 HG21 HG23 ' A' ' 66' ' ' VAL . 1.8 m -71.48 149.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.14 -13.91 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -163.26 103.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.768 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -93.74 147.88 34.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 133.7 16.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 69' ' ' HIS . 4.5 ptt180 -63.35 -26.8 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.42 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 3.5 t-160 -59.04 -45.78 89.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.594 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.882 HD12 ' OD1' ' A' ' 12' ' ' ASP . 3.0 tp -72.01 -43.54 64.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -56.82 -41.44 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.38 -49.27 77.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -67.62 -30.33 69.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.757 HD12 ' HG ' ' A' ' 70' ' ' LEU . 6.4 mt -67.41 -44.7 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 29.5 t80 -75.0 -53.87 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -52.63 -20.89 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 8.4 t -44.96 -50.75 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 1' ' ' MET . 2.9 m-85 -152.07 -175.29 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.669 ' C ' HG22 ' A' ' 80' ' ' THR . 16.9 tt0 -171.22 168.8 6.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.669 HG22 ' C ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER 173.19 132.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -139.71 -146.77 4.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -151.26 60.43 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 109.605 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.492 ' O ' HD22 ' A' ' 84' ' ' LEU . 11.8 t -160.27 134.28 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 108.273 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD22 ' O ' ' A' ' 83' ' ' CYS . 3.6 mm? -125.84 42.5 3.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -150.27 165.05 34.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 77.27 130.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -83.06 6.94 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.386 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -107.5 72.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 89' ' ' VAL . 20.9 t -100.91 38.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 t -88.88 -6.07 57.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.372 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.17 104.97 8.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -141.68 -177.48 5.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.47 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 17.1 m -119.74 175.3 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 48' ' ' ILE . 87.1 t -133.78 150.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.9 t -75.69 137.74 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -85.13 -50.99 6.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -52.85 -39.88 62.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.84 -54.52 46.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.645 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 68.4 t -61.77 -38.0 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 31' ' ' LEU . 35.4 t -61.55 -23.24 65.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -41.48 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.996 ' OH ' HD11 ' A' ' 8' ' ' ILE . 44.4 t80 -64.16 -55.79 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.645 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 13.3 m-85 -58.61 -25.89 63.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.1 t -61.8 -40.74 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -30.39 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 ' CZ ' ' A' ' 102' ' ' TYR . 1.1 mp -58.42 -64.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -37.41 84.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.19 -67.23 2.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.65 85.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.73 99.96 40.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.38 2.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 179.75 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 51.7 t0 45.2 35.68 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 165.41 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.15 177.53 7.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.87 129.13 13.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 m0 -92.36 -114.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mmm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.5 0.191 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.09 63.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -83.94 -126.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -155.04 -156.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 68.55 120.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.42 106.81 2.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mp -142.28 135.94 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.589 HD13 ' OH ' ' A' ' 102' ' ' TYR . 10.6 pt -117.94 123.73 72.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.537 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -49.81 -179.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.625 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -48.52 14.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -37.78 60.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.91 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -57.61 -57.33 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' HD22 ' A' ' 70' ' ' LEU . 14.6 tm0? -54.99 -55.58 29.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.837 HD11 HD21 ' A' ' 74' ' ' LEU . 4.3 mt -54.65 -41.85 70.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.86 -60.35 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -51.43 -59.01 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.76 ' HB3' HD22 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -51.41 -53.65 34.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.667 ' SD ' HD23 ' A' ' 106' ' ' LEU . 91.9 mtp -57.41 -47.71 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -44.85 -37.59 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.335 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -36.98 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.18 158.61 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -137.39 14.25 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -175.4 3.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.1 mttt -134.76 141.65 46.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.656 HG23 ' CE1' ' A' ' 56' ' ' PHE . 13.1 p -71.48 -31.25 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -63.3 -42.04 99.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.042 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.82 -38.78 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 26' ' ' LYS . 22.2 t -59.85 -37.28 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.893 ' CD2' HD22 ' A' ' 96' ' ' LEU . 41.2 mt -60.72 -24.3 65.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -58.58 -25.52 62.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.619 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 3.1 mt -82.51 -27.66 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 39' ' ' MET . 30.4 m-85 -76.68 -11.49 59.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 10.9 pt-20 -103.33 -45.29 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -114.97 -33.02 5.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.619 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -62.78 155.28 41.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.45 -22.47 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.568 ' HG2' ' CE1' ' A' ' 34' ' ' PHE . 16.1 tpp -62.12 -12.07 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.28 -2.37 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -73.95 -30.4 62.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -105.07 33.24 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 47' ' ' ALA . 78.3 t -125.53 128.6 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -97.27 95.99 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 -95.99 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -122.22 22.1 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.7 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -132.19 178.09 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.558 HD11 ' HA3' ' A' ' 52' ' ' GLY . 15.1 tt -145.31 152.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.07 -175.43 50.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -70.89 -40.11 72.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.07 -17.34 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.558 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -74.82 -24.0 73.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.74 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -69.79 -51.65 32.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -75.22 -24.0 57.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.67 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 3.3 t80 -75.45 -46.08 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.06 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -54.59 -21.89 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 7.7 tttm -68.42 -59.45 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.471 HD12 ' HE3' ' A' ' 39' ' ' MET . 19.3 mt -73.85 -45.33 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.67 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 3.9 t80 -39.69 -64.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -91.12 -7.69 50.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.53 4.02 4.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.536 HG21 HG23 ' A' ' 66' ' ' VAL . 1.1 m -51.12 158.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -96.68 -9.2 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.57 116.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.97 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -101.88 147.9 34.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.673 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.1 Cg_endo -75.02 120.24 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -30.56 64.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -53.09 -51.1 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' HG ' HD12 ' A' ' 74' ' ' LEU . 1.1 tp -70.09 -46.47 64.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -56.39 -26.36 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.84 -49.07 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.27 -34.48 68.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.06 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.8 mt -56.18 -41.66 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.477 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . 21.2 t80 -71.68 -36.54 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.19 -41.03 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -45.63 -63.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -120.34 129.72 54.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HG3' ' CE1' ' A' ' 75' ' ' PHE . 4.8 tt0 -131.46 -151.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.0 m -70.5 -11.85 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.63 38.91 67.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -141.81 -98.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.777 . . . . 0.0 109.622 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 62.27 37.85 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.102 . . . . 0.0 108.259 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.66 38.8 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 49.83 89.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.66 23.73 5.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.8 m 38.5 49.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -148.73 79.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 89' ' ' VAL . 46.2 t -128.65 38.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.2 t -105.6 -9.77 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.35 77.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -86.02 123.03 30.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.487 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 2.2 m -107.38 139.14 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -121.11 133.42 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.4 t -64.24 130.14 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.893 HD22 ' CD2' ' A' ' 31' ' ' LEU . 3.9 mt -70.04 -44.21 69.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -50.19 -34.12 21.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.472 ' OD1' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -70.32 -37.94 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.41 -38.69 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 104' ' ' SER . 12.0 t -56.11 -23.6 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 109.982 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.7 -51.79 10.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.589 ' OH ' HD13 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -53.12 -54.99 27.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.466 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.48 -33.07 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 100' ' ' SER . 2.2 t -59.02 -29.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.7 -41.82 59.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.667 HD23 ' SD ' ' A' ' 20' ' ' MET . 8.5 mp -58.12 -57.74 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -56.79 -41.69 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 39.41 68.33 0.52 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -85.56 44.7 3.39 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 111.29 21.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.18 41.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -178.05 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.4 t0 178.53 97.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.78 165.57 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 176.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.586 ' O ' ' CD1' ' A' ' 117' ' ' TRP . 3.4 mm-40 -104.92 -149.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -173.79 -94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 107.979 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 mmm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.502 0.191 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.13 46.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 -121.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 169.12 156.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 79' ' ' GLU . 1.3 ptt180 178.75 146.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.62 109.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mp -117.36 118.56 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.6 HG22 ' HB1' ' A' ' 73' ' ' ALA . 5.3 pt -95.01 116.27 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.74 179.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -50.93 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.1 -35.03 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -72.01 -36.37 69.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HB1' HD23 ' A' ' 115' ' ' LEU . . . -69.77 -38.78 76.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.596 ' OE1' ' CD2' ' A' ' 19' ' ' TYR . 2.7 tp-100 -63.46 -52.84 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.629 ' CD1' HD21 ' A' ' 70' ' ' LEU . 2.2 tp -58.63 -48.55 80.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -63.94 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.03 -52.74 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.596 ' CD2' ' OE1' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -63.29 -51.5 65.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -61.61 -24.02 66.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -65.29 -53.87 37.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.49 -44.15 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.23 163.28 25.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -126.31 17.46 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -176.88 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -134.97 147.5 49.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.674 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 8.2 p -64.7 -30.99 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -75.96 -47.68 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.9 -35.24 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 100' ' ' SER . 13.2 mt -71.27 -37.13 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.6 -22.15 55.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.2 mt -77.69 -33.69 53.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.517 ' CG ' ' HB3' ' A' ' 39' ' ' MET . 7.3 m-85 -80.55 -13.83 58.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.34 -57.72 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 -32.45 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -50.8 -176.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.41 -29.36 67.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.517 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -56.83 -16.5 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.28 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 16.3 ptpt -67.89 -35.32 78.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 21.6 m-30 -110.4 41.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 39' ' ' MET . 81.2 t -123.24 141.7 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -113.64 80.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.69 -97.74 1.86 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 96' ' ' LEU . 31.3 m-20 -123.78 1.47 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.758 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -105.25 144.92 31.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.585 HG23 ' HG ' ' A' ' 96' ' ' LEU . 11.4 pt -109.97 158.6 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 156.25 21.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -59.68 -36.52 76.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -72.54 -48.52 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.6 -39.08 65.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.697 ' HE1' HD11 ' A' ' 57' ' ' LEU . 9.7 t80 -55.84 -26.85 48.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.05 -31.41 72.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -34.37 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.674 ' HZ ' HG23 ' A' ' 27' ' ' VAL . 65.6 t80 -56.19 -43.49 78.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.931 ' HB3' HG21 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -59.96 -22.25 62.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -70.04 -59.49 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.52 -47.87 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 3.6 t80 -40.69 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.708 HD11 HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -80.04 -4.17 51.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 65.77 10.51 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.622 HG21 HG23 ' A' ' 66' ' ' VAL . 3.8 m -62.56 160.6 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -102.32 -9.32 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.72 112.94 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.931 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -99.64 147.65 33.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.618 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.02 140.98 26.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -71.45 -29.36 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -56.56 -49.59 74.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.63 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.706 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.9 tp -71.65 -46.46 58.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -32.04 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 72' ' ' LEU . 3.5 tp -69.73 -48.9 57.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.6 ' HB1' HG22 ' A' ' 8' ' ' ILE . . . -70.35 -27.02 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.2 mt -67.32 -30.07 69.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.455 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.3 t80 -74.35 -55.27 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.471 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 5.3 pt20 -62.55 -23.49 67.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 t -50.82 -28.07 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 98' ' ' ASP . 2.8 m-85 -143.71 162.8 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' NH2' ' A' ' 5' ' ' ARG . 1.3 tt0 179.36 165.1 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.4 p -119.71 -138.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.67 91.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -66.04 -78.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 109.633 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.27 148.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 108.285 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -93.45 55.31 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 61.76 68.79 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -141.89 -149.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 87' ' ' THR . 17.9 m -135.12 44.16 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -135.12 91.99 2.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 89' ' ' VAL . 61.1 t -121.64 38.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.547 HG23 ' HG2' ' A' ' 91' ' ' LYS . 3.3 t -89.97 172.27 8.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HG2' HG23 ' A' ' 90' ' ' THR . 0.2 OUTLIER 38.91 74.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.04 96.64 9.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.758 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 28.7 m -108.03 173.57 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.482 HG13 ' CG1' ' A' ' 48' ' ' ILE . 2.5 p -148.03 152.22 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.95 137.41 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -68.56 -50.7 49.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.25 -42.76 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.9 m-20 -58.18 -41.18 83.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.64 -35.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.636 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.7 t -68.81 -26.45 65.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -37.23 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -73.04 -48.86 32.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 5.3 m-85 -67.87 -26.1 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 t -64.82 -25.02 67.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.05 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.44 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -29.18 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -39.28 -50.96 2.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.6 55.73 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -105.29 107.05 58.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.65 42.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 179.62 -36.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -162.72 110.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.355 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 176.46 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.616 HD23 ' HB1' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -62.24 176.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.461 ' C ' ' N ' ' A' ' 118' ' ' SER . 2.1 mt-10 -104.15 -148.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.601 ' CG ' ' O ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER 40.56 30.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 107.979 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.461 ' N ' ' C ' ' A' ' 116' ' ' GLU . 58.5 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.497 0.189 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.07 43.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.95 -120.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 102.84 4.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.53 178.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.61 80.2 1.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 mt -77.86 64.88 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 pt -90.79 117.1 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -50.13 179.46 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.038 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -0.1 9.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -48.29 14.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.727 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -74.86 -35.49 62.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -45.32 80.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.91 15.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.57 -53.9 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 16' ' ' LEU . 5.3 tp -58.13 -41.73 84.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -56.69 -55.44 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -59.16 -59.02 6.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 61' ' ' LEU . 1.8 m-85 -51.58 -53.6 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 27.1 mmm -52.92 -49.24 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -40.93 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -39.31 69.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -78.17 136.33 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -132.37 18.02 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -179.74 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -105.09 146.87 28.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.96 -34.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -65.45 -32.78 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.09 -40.46 68.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 60' ' ' TYR . 45.7 t -72.34 -37.78 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 31' ' ' LEU . 31.8 mt -66.94 -25.54 66.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -58.98 -25.77 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD12 HG21 ' A' ' 59' ' ' ILE . 11.1 mt -73.43 -31.95 64.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 56' ' ' PHE . 52.3 m-85 -80.83 -14.1 58.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.93 -57.57 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.02 -32.09 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.22 -172.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.35 -18.2 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' HD11 ' A' ' 59' ' ' ILE . 34.7 mmm -71.74 -3.76 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.81 -2.5 43.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -15.98 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -110.84 26.69 10.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 47' ' ' ALA . 8.9 t -112.39 136.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.783 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 3.8 mt-30 -131.64 122.97 26.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' ALA . . . 41.8 69.21 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.76 24.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 44' ' ' GLN . . . -129.79 175.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' VAL . 9.1 tt -138.91 150.9 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.98 -170.98 29.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.75 -57.01 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -35.39 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.42 -28.82 59.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.746 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -74.99 -52.71 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -31.49 71.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -74.63 -38.58 62.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 60' ' ' TYR . 1.6 t80 -56.88 -45.06 82.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.951 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -55.09 -22.38 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -59.47 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.543 HG21 HD12 ' A' ' 33' ' ' LEU . 13.7 mt -72.49 -46.76 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 28.0 t80 -46.41 -65.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.4 mp -85.67 8.91 17.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.1 28.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 61' ' ' LEU . 11.9 m -77.21 167.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.62 -5.52 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.3 117.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.722 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -103.29 147.6 34.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.722 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.99 124.59 8.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -32.92 70.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -43.64 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.557 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.65 ' HG ' HD12 ' A' ' 74' ' ' LEU . 1.7 tp -73.43 -48.49 33.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -24.16 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 72' ' ' LEU . 4.3 tp -75.18 -49.14 20.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.727 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -72.82 -33.01 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.951 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.0 mt -53.19 -50.8 63.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -74.1 -41.26 61.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -24.48 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' ALA . 32.0 p -73.47 -35.92 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' CZ ' HG22 ' A' ' 99' ' ' VAL . 37.7 m-85 -88.21 -85.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 46.34 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -40.46 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.429 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.654 ' H ' HG23 ' A' ' 80' ' ' THR . . . 79.72 143.85 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.04 142.12 24.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.552 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.1 OUTLIER 64.8 136.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.281 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 83' ' ' CYS . 3.7 mm? -106.19 32.62 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -170.45 85.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.71 134.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.1 p -93.23 65.46 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -153.56 58.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 89' ' ' VAL . 24.6 t -115.15 38.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 t -91.17 -9.41 45.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.18 79.8 2.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -73.38 84.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 6.0 m -142.17 168.53 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ILE . 93.3 t -148.5 152.66 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.646 ' O ' HG23 ' A' ' 99' ' ' VAL . 36.5 t -75.41 133.91 41.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.77 -44.37 18.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -61.26 -33.82 74.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' CB ' ' HB3' ' A' ' 95' ' ' CYS . 12.6 t70 -68.31 -41.57 80.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 95' ' ' CYS . 96.2 t -71.94 -28.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -71.66 -26.77 62.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.7 t -76.3 -48.1 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.49 -53.56 54.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.645 ' CD2' HG12 ' A' ' 99' ' ' VAL . 1.8 m-85 -58.9 -33.84 71.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 t -59.65 -37.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.35 -50.97 26.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.454 ' HB3' ' HE2' ' A' ' 20' ' ' MET . 0.7 OUTLIER -49.75 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -40.77 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.83 -72.77 0.49 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.45 76.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.88 95.72 34.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.29 14.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -178.07 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.96 102.53 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.64 4.99 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 115' ' ' LEU . 5.3 mt -49.48 171.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 115' ' ' LEU . 3.5 mm-40 -139.02 145.12 39.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -133.48 -111.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.029 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 mtm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.455 0.169 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.05 72.5 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -68.43 -122.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.37 -170.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -179.55 36.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' LEU . . . -169.44 -133.18 1.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER 61.55 122.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 0.814 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.63 HD12 ' OD2' ' A' ' 12' ' ' ASP . 24.6 pt 41.37 28.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 56.45 170.28 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.41 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.99 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.3 -50.15 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.63 ' OD2' HD12 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -75.61 -38.13 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 5.7 t80 -62.9 -36.16 82.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -61.49 -56.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.36 -56.42 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.967 HD13 HD11 ' A' ' 70' ' ' LEU . 3.0 tp -56.54 -44.41 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 15.0 tt0 -61.7 -62.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -48.76 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.764 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.3 m-85 -64.46 -54.03 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.458 ' HG3' HD21 ' A' ' 61' ' ' LEU . 51.6 mtp -53.65 -49.65 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -24.43 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.64 140.26 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -120.51 15.85 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -94.05 -176.71 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -134.77 142.03 46.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.538 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 9.3 p -64.51 -33.69 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -65.48 -26.29 67.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -76.16 -48.12 21.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.791 HG21 ' HA ' ' A' ' 60' ' ' TYR . 97.4 t -67.29 -29.81 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -56.96 -54.51 45.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 5.8 pttt -58.74 -28.48 65.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 33' ' ' LEU . 6.5 mt -67.91 -38.24 82.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 0.8 OUTLIER -81.17 -13.46 58.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -84.94 -57.69 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -32.41 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.235 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.13 -175.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.58 -23.09 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.56 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -67.83 -7.01 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.69 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -111.82 37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 47' ' ' ALA . 76.0 t -124.15 129.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 11.0 mt-30 -118.9 123.65 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.29 44.93 52.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.92 19.34 11.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.595 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -124.87 174.44 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.578 HD13 ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -137.59 149.2 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.578 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -102.06 -177.64 27.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -69.93 -30.37 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.16 -55.58 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.52 -37.78 61.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 74' ' ' LEU . 38.8 t80 -57.08 -26.33 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 111.051 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.61 -43.32 89.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.36 -21.94 59.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.538 ' HZ ' HG23 ' A' ' 27' ' ' VAL . 57.3 t80 -70.86 -45.77 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.845 HD11 HD13 ' A' ' 74' ' ' LEU . 7.9 mt -60.35 -23.53 64.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 18.8 tttm -66.5 -60.07 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 55' ' ' GLN . 4.7 mp -73.24 -48.46 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.791 ' HA ' HG21 ' A' ' 30' ' ' VAL . 8.9 t80 -47.72 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.764 HD22 ' HB3' ' A' ' 19' ' ' TYR . 9.0 mt -76.37 -1.91 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.37 16.85 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -76.15 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.01 -11.12 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.26 115.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.781 HG23 HG21 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -98.37 147.38 33.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.693 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 138.3 22.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -29.97 68.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.01 -42.46 80.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.967 HD11 HD13 ' A' ' 16' ' ' LEU . 3.8 tp -73.57 -41.93 62.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -30.52 62.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.2 -47.31 51.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.621 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -69.88 -36.08 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 57' ' ' LEU . 3.8 mt -52.84 -51.92 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -53.13 -24.23 9.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 t -63.56 -53.18 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.85 143.92 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -164.93 106.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -23.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.64 -74.54 0.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 44.28 41.68 4.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.577 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.758 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -164.62 130.67 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 108.319 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.758 HD22 ' C ' ' A' ' 83' ' ' CYS . 4.0 mm? -127.69 42.19 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -175.02 69.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -140.33 -150.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 87' ' ' THR . 3.8 m -143.61 43.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -158.52 48.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.6 t -113.93 38.97 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 91' ' ' LYS . 5.2 t -110.0 -10.24 14.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -124.73 78.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -61.84 86.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 33.6 m -127.39 176.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.9 p -162.03 157.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.4 t -74.9 135.38 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -43.66 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.64 -32.94 70.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.89 -40.29 91.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.1 -32.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.703 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.7 t -73.6 -22.6 59.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.11 -47.24 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 108.261 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.88 -54.12 46.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.57 -33.94 70.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.9 t -59.11 -30.33 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 110' ' ' ARG . 3.1 mt -74.48 -36.02 63.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.92 -45.46 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -53.54 -51.13 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 138.32 68.17 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -120.28 -110.02 2.25 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.721 ' O ' HD13 ' A' ' 105' ' ' LEU . 4.8 mtt-85 -119.92 136.73 25.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.73 42.19 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -149.15 -45.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.518 ' HB2' HD11 ' A' ' 7' ' ' LEU . 5.8 m-20 -78.93 68.02 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -77.04 -163.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.406 ' C ' ' CG ' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -53.8 160.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -152.35 132.26 13.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -91.92 -111.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.037 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.507 0.194 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 40.2 42.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 4' ' ' GLU . 4.3 tptp -84.91 -127.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 56.61 113.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.01 139.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 59.1 14.54 25.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -47.09 132.57 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.549 HD12 ' HB3' ' A' ' 12' ' ' ASP . 6.4 pt -116.9 37.57 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER 53.38 170.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.0 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -79.42 -52.05 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.596 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -76.6 -39.54 52.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 9.6 t80 -63.66 -39.08 93.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -62.24 -55.82 24.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -53.39 -55.99 20.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.715 HD23 HD11 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -58.64 -50.09 75.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -55.44 -44.85 76.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 7.1 tttt -68.82 -59.15 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.703 ' CD2' HG11 ' A' ' 63' ' ' VAL . 5.3 m-85 -48.53 -31.24 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' SER . 10.0 tpp -77.39 -38.71 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -40.57 -33.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.524 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -86.51 -36.96 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -74.87 123.81 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 24' ' ' THR . 1.7 t -125.89 16.92 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.26 -179.49 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -104.92 140.27 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.21 -22.93 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -70.04 -24.47 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -45.44 55.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.6 t -70.53 -27.52 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -58.49 -56.03 27.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -58.88 -34.98 72.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -56.19 -43.81 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 12.0 m-85 -81.89 -13.76 57.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.7 mm-40 -85.15 -57.87 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -113.93 -32.44 6.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -60.24 157.98 27.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -46.56 -28.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.477 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 8.7 mmt -56.88 -16.55 6.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -77.19 -2.5 34.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -27.22 67.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -109.61 31.27 5.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 47' ' ' ALA . 77.7 t -124.27 129.41 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.492 HE21 ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -105.44 131.35 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.39 -98.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -135.34 19.3 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -131.83 170.27 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 9.3 tt -131.18 157.59 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.2 -175.18 42.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 26.2 t80 -78.96 -25.64 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.42 67.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.3 -40.84 98.24 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 99' ' ' VAL . 2.5 m-85 -54.74 -27.88 44.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.51 -61.04 2.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.24 -28.24 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 16.7 t80 -58.41 -51.44 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.882 HD21 ' CD1' ' A' ' 74' ' ' LEU . 4.2 mt -54.72 -22.33 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -66.65 -59.06 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.6 -47.97 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.74 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 8.8 t80 -49.25 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.715 HD11 HD23 ' A' ' 16' ' ' LEU . 9.5 mt -69.09 -8.89 49.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.67 32.85 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.703 HG11 ' CD2' ' A' ' 19' ' ' TYR . 1.8 m -97.06 161.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -97.36 -14.09 21.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -163.53 106.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.776 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -95.02 148.7 35.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.776 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.1 Cg_endo -74.97 128.62 11.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -35.27 74.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -38.83 62.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.596 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.9 tp -74.21 -46.19 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 p -57.44 -30.52 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 tp -70.17 -49.22 52.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.27 -33.11 71.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.882 ' CD1' HD21 ' A' ' 57' ' ' LEU . 5.4 mt -54.71 -43.37 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 50' ' ' TYR . 3.6 t80 -68.61 -48.29 64.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.36 -46.19 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 t -45.97 -60.29 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -121.48 126.89 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.506 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -154.73 125.54 7.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.07 -21.81 18.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.88 85.21 1.09 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.87 -175.21 3.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.569 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -127.22 90.56 3.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 108.286 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -97.82 43.09 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 86' ' ' GLU . 0.2 OUTLIER 71.56 93.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' ASN . 3.5 mm-40 35.53 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 87' ' ' THR . 27.3 m -119.45 30.34 7.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.4 t30 61.33 42.31 11.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.63 96.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -123.13 -2.24 8.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.602 ' O ' HG22 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -133.51 91.57 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -60.1 90.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 91' ' ' LYS . 5.5 m -118.02 171.15 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.15 153.46 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 98' ' ' ASP . 1.2 m -74.93 136.53 41.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 108.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -54.3 10.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -55.07 -31.64 61.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.455 ' HB2' ' CB ' ' A' ' 95' ' ' CYS . 0.4 OUTLIER -65.82 -43.61 88.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.552 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 53.4 t -67.73 -32.31 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.6 t -66.04 -24.12 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.2 t -77.0 -50.68 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 108.34 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.429 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 27.9 t80 -60.77 -54.35 46.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.74 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-30 -58.29 -33.27 69.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.5 t -58.97 -35.09 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -36.66 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.56 -34.62 62.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 102.8 86.78 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.2 47.84 0.28 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -102.37 125.58 35.81 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.551 0.795 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.15 41.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -17.63 62.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.7 t70 40.4 38.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -50.52 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.89 176.83 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.442 ' N ' ' OE2' ' A' ' 116' ' ' GLU . 0.2 OUTLIER -142.8 127.52 18.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -92.29 -111.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.532 0.206 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.51 73.5 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -127.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.7 155.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -137.35 108.2 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.03 -9.51 5.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' ILE . 1.9 mm? -94.13 175.09 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 8' ' ' ILE . 15.1 tt 37.83 89.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.418 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -48.02 173.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.93 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -39.73 63.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.911 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -74.74 -50.32 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -40.75 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.36 96.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' OE1' ' CD1' ' A' ' 19' ' ' TYR . 2.8 tp60 -70.84 -52.68 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.764 HD11 HD21 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -52.38 -45.28 65.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -56.26 -63.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.19 -53.22 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.591 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 1.8 m-85 -57.71 -42.79 84.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 mtp -61.68 -44.92 96.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -53.85 5.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -39.62 68.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 134.17 41.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 24' ' ' THR . 1.3 t -117.02 20.42 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -97.7 164.1 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 4.9 mmtm -105.09 146.01 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.61 -23.36 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -65.95 -32.52 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.28 -41.4 70.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.91 HG21 ' HA ' ' A' ' 60' ' ' TYR . 54.4 t -74.18 -25.52 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -63.65 -54.89 28.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -58.2 -31.35 67.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.1 mt -59.71 -45.16 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 15.0 m-85 -81.54 -13.67 57.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.3 mm-40 -84.03 -57.74 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -115.95 -32.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -54.9 176.19 0.5 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.42 -21.5 66.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.585 ' SD ' HD12 ' A' ' 59' ' ' ILE . 33.8 mmt -66.24 -8.52 25.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.61 -2.19 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.2 -12.07 59.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.565 ' CD1' ' HA2' ' A' ' 52' ' ' GLY . 12.7 m-85 -108.29 18.54 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -119.62 128.42 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -123.04 125.8 45.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.79 31.57 46.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.504 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 1.4 t0 80.43 -1.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -106.68 130.1 54.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 94' ' ' VAL . 6.1 tt -92.85 150.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.8 165.21 29.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.66 -37.89 83.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 1.4 tt0 -68.12 -46.58 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.565 ' HA2' ' CD1' ' A' ' 42' ' ' TYR . . . -56.54 -38.34 80.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -56.76 -27.62 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 3.5 mm-40 -61.45 -59.57 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.457 ' CD ' ' CD2' ' A' ' 42' ' ' TYR . 5.3 pt20 -57.16 -23.83 50.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 1.9 t80 -66.35 -50.83 62.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.906 ' HB3' HG21 ' A' ' 66' ' ' VAL . 3.7 mt -63.95 -22.63 67.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.9 tttm -68.07 -59.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.585 HD12 ' SD ' ' A' ' 39' ' ' MET . 50.3 mt -71.83 -48.48 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.91 ' HA ' HG21 ' A' ' 30' ' ' VAL . 15.3 t80 -45.6 -68.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 19' ' ' TYR . 4.8 mt -76.53 -13.58 60.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.82 4.91 5.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.655 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -61.03 158.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -86.94 -14.06 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.51 116.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.906 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -87.32 148.44 44.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.623 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 132.51 15.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -61.27 -32.51 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -53.31 -49.08 67.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.65 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.911 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.6 tp -74.74 -46.62 36.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.17 -25.24 58.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' ARG . 6.2 tp -75.1 -49.18 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.71 -26.99 62.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.825 HD13 HD11 ' A' ' 57' ' ' LEU . 5.8 mt -60.5 -40.64 92.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.35 -40.73 77.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.1 -20.58 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -68.68 73.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 36.8 t80 60.74 166.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.909 ' HA ' HG22 ' A' ' 94' ' ' VAL . 14.5 mp0 -139.39 -172.96 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.471 ' HB ' HG23 ' A' ' 93' ' ' VAL . 6.0 t -51.35 -33.35 29.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.17 -178.73 32.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.67 -91.85 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 0.0 109.567 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 m 63.43 43.38 6.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 108.357 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' O ' ' CG ' ' A' ' 85' ' ' ASN . 2.9 mm? -84.86 49.36 1.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 84' ' ' LEU . 3.0 m120 175.34 39.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.75 -149.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 87' ' ' THR . 3.5 m -146.55 43.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.45 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -139.07 66.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 89' ' ' VAL . 91.4 t -113.65 38.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.3 t -96.51 -11.14 25.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.01 86.4 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.7 76.77 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.576 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 7.1 m -134.85 161.74 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 79' ' ' GLU . 90.4 t -131.58 149.08 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.44 97.29 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 96' ' ' LEU . 1.5 pt? -48.32 -24.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -74.47 -47.32 34.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -26.94 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 103' ' ' PHE . 76.5 t -75.06 -30.76 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 31' ' ' LEU . 9.4 t -59.77 -33.32 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.15 -54.71 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.493 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.6 OUTLIER -52.61 -38.27 59.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -74.12 -31.04 62.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.5 t -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -74.39 -37.1 63.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 102' ' ' TYR . 3.3 mm? -47.83 -51.37 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -57.5 -54.03 51.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.99 40.64 2.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . -83.33 48.4 4.03 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -60.52 125.57 82.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 159.22 41.74 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -108.71 -15.46 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -165.98 97.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 163.71 25.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.66 176.75 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 127.43 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -129.62 -114.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 107.994 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mmm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.504 0.193 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.11 46.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -89.98 -131.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -149.83 18.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -41.8 123.24 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.4 118.55 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 90.8 3.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.44 HG23 ' HB2' ' A' ' 77' ' ' SER . 9.6 pt -53.33 118.61 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.86 179.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.957 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.0 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -49.04 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.633 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -74.9 -38.02 61.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.1 -35.31 79.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.9 -56.32 18.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -51.71 -56.06 15.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -56.47 -40.12 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -58.91 -57.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -60.18 -52.0 67.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.535 ' C ' HD22 ' A' ' 61' ' ' LEU . 4.5 m-85 -57.18 -37.71 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' SER . 40.2 ttm -71.84 -47.71 51.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -42.15 -50.98 4.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.09 -33.04 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -77.17 148.56 35.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -138.43 11.99 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -94.03 173.92 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -105.25 141.45 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.604 HG21 ' HD2' ' A' ' 103' ' ' PHE . 9.1 p -72.87 -33.59 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -29.19 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -32.56 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 33' ' ' LEU . 39.7 t -68.94 -36.57 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.97 -35.11 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.64 -29.97 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 30' ' ' VAL . 1.7 mt -80.93 -33.41 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -81.5 -13.65 57.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -87.39 -49.12 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 11.6 t70 -122.9 -34.0 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.565 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.45 165.64 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.32 -27.5 23.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 59' ' ' ILE . 37.6 mmt -56.57 -17.29 8.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.96 -2.31 33.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -64.42 -28.85 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -105.69 35.34 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.5 t -128.11 128.68 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -118.91 122.94 43.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.55 33.98 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 12.2 t0 77.23 1.72 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -106.48 137.55 44.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 96' ' ' LEU . 8.9 tt -113.88 153.19 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.73 -171.15 43.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.3 t80 -74.55 -56.3 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 4.9 tt0 -50.49 -47.2 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.01 -37.62 71.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.544 ' HE1' HG21 ' A' ' 99' ' ' VAL . 5.1 t80 -57.62 -28.04 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 3.5 mm-40 -59.92 -43.61 94.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.75 -32.32 73.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 22.5 t80 -60.51 -51.38 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.876 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -54.77 -22.23 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.4 tttt -67.92 -58.82 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.549 HD11 ' SD ' ' A' ' 39' ' ' MET . 1.2 mp -75.04 -48.2 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.749 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 3.1 t80 -47.4 -66.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD22 ' C ' ' A' ' 19' ' ' TYR . 7.0 mt -79.19 -7.77 58.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.9 tm-20 64.57 11.25 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.691 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -71.09 151.72 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -89.11 -8.26 54.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.91 116.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.876 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -100.42 147.24 33.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.665 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -75.0 143.37 28.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -32.77 69.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -55.58 -44.64 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.635 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.2 tp -69.32 -48.89 60.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -23.29 57.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.6 -48.82 24.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.492 ' HB3' ' CG ' ' A' ' 12' ' ' ASP . . . -72.42 -34.28 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.851 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.2 mt -55.09 -44.05 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' CE2' ' OE2' ' A' ' 79' ' ' GLU . 6.7 t80 -73.49 -47.56 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.29 -22.0 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.44 ' HB2' HG23 ' A' ' 8' ' ' ILE . 39.3 t -66.72 -68.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -120.24 151.76 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -141.02 -152.31 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.23 -16.21 50.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.57 -174.49 23.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -58.42 -79.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.548 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m 56.92 39.48 29.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.1 51.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 170.52 88.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 175.91 135.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 m -114.98 54.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -158.31 51.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.56 95.85 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.2 t -122.6 -3.0 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -120.23 78.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 93.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.464 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 19.4 m -128.4 156.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.3 151.77 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 97' ' ' ASN . 4.9 t -74.46 94.22 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 96' ' ' LEU . 1.3 pt? -48.58 -22.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 95' ' ' CYS . 12.6 t30 -66.77 -50.7 61.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.59 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 9.9 t70 -55.31 -29.88 59.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.544 HG21 ' HE1' ' A' ' 53' ' ' PHE . 24.3 t -74.25 -38.16 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -59.23 -26.37 64.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -77.14 -55.87 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.2 -40.45 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.749 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 m-30 -72.73 -37.7 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 t -59.66 -36.52 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.28 -44.71 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HB3' ' CE ' ' A' ' 20' ' ' MET . 4.2 mp -48.1 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.62 -44.36 74.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -40.53 -38.09 1.39 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -94.73 48.45 2.05 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 147.87 39.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.19 41.37 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -97.79 -17.63 19.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.2 t70 40.38 49.49 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -50.76 179.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.68 158.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -151.25 130.87 13.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -71.12 -112.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 108.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.507 0.194 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.19 40.73 27.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -116.36 -132.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.25 -150.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.65 159.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.416 ' C ' HD22 ' A' ' 7' ' ' LEU . . . 52.68 97.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.743 HD22 ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -105.17 -170.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.487 HD12 ' OD1' ' A' ' 12' ' ' ASP . 21.1 pt -132.28 13.98 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 8' ' ' ILE . 0.5 OUTLIER 53.21 171.16 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -43.69 29.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.846 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 6.0 t70 -74.9 -41.95 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' HE1' HE21 ' A' ' 17' ' ' GLN . 8.0 t80 -63.49 -44.84 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.9 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.499 ' OE1' HD22 ' A' ' 70' ' ' LEU . 14.3 tm0? -50.89 -53.04 35.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.632 HD21 ' HE1' ' A' ' 103' ' ' PHE . 10.7 tp -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.471 HE21 ' HE1' ' A' ' 13' ' ' PHE . 1.3 mt-30 -63.16 -31.69 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -82.09 -46.26 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.981 ' CE2' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -68.02 -55.11 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 3.3 ppp? -53.05 -27.7 21.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -53.87 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -46.32 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 144.51 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.4 p -127.94 10.92 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -79.1 -179.42 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -105.11 143.33 33.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.78 -28.49 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -69.09 -23.38 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -41.37 66.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.731 HG21 ' HA ' ' A' ' 60' ' ' TYR . 76.1 t -75.13 -26.26 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.1 OUTLIER -64.49 -51.51 62.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.36 -31.68 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.0 mt -57.93 -41.84 83.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CZ ' ' HE2' ' A' ' 39' ' ' MET . 18.4 m-85 -81.58 -12.94 58.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -86.78 -51.12 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.33 -34.14 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.19 170.7 0.69 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -60.17 -14.24 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.489 ' HE2' ' CZ ' ' A' ' 34' ' ' PHE . 79.4 mmm -79.34 5.12 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.53 -2.27 58.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -76.23 -20.66 57.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -116.03 47.44 1.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.59 130.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -102.63 85.51 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.93 -88.3 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.62 22.44 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.527 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -138.38 131.48 30.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.547 HD11 ' CA ' ' A' ' 52' ' ' GLY . 16.1 tt -113.85 151.64 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.0 -175.31 47.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -61.02 -57.14 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.36 -33.07 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.547 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . -77.61 -29.25 55.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -55.34 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -29.0 62.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -35.39 76.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.69 ' CE2' HG12 ' A' ' 30' ' ' VAL . 37.7 t80 -57.33 -46.42 83.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.803 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -55.83 -22.17 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 21.0 tttt -69.55 -59.6 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.42 -47.49 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.731 ' HA ' HG21 ' A' ' 30' ' ' VAL . 2.4 t80 -40.06 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.2 mp -79.29 -9.34 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 5.4 tt0 71.71 7.12 5.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.981 HG11 ' CE2' ' A' ' 19' ' ' TYR . 1.9 m -55.47 153.38 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 -9.49 40.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.01 115.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.689 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -98.39 149.07 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.689 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.97 128.28 11.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' LEU . 1.6 ptp180 -60.75 -25.54 66.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.44 -48.1 81.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.756 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.5 tp -75.01 -46.48 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -25.22 66.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ARG . 12.2 tp -73.56 -49.26 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.846 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.803 ' CD1' HD21 ' A' ' 57' ' ' LEU . 5.8 mt -60.78 -47.06 88.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -74.96 -41.0 60.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -40.22 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 8' ' ' ILE . 52.6 p -62.57 -49.62 74.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 94' ' ' VAL . 24.6 m-85 -101.35 107.33 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -159.23 113.66 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -19.47 65.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.17 -80.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.8 t60 75.59 85.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.61 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.14 129.51 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -114.24 45.8 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 177.81 92.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -145.28 -149.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 87' ' ' THR . 2.8 t -175.09 33.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 110.379 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -174.0 83.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.75 81.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 t -137.95 -43.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.416 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -99.6 91.74 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.64 116.82 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.527 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 10.5 m -107.32 160.2 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 78' ' ' PHE . 9.2 p -136.91 162.38 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.429 ' N ' HG22 ' A' ' 94' ' ' VAL . 1.7 m -74.29 136.68 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.89 37.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -58.34 -39.09 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.22 -37.54 80.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 78' ' ' PHE . 39.6 t -74.4 -47.06 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' ' 31' ' ' LEU . 10.0 t -54.64 -21.54 10.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -72.3 -46.07 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 106' ' ' LEU . 2.6 t80 -56.93 -52.74 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.632 ' HE1' HD21 ' A' ' 16' ' ' LEU . 22.8 m-85 -65.22 -40.4 94.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.8 t -59.28 -40.16 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -70.48 -37.15 74.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 102' ' ' TYR . 4.3 mp -54.54 -66.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.59 -40.62 69.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.49 46.13 1.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . 173.94 39.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.84 143.92 26.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 158.3 42.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -94.2 -20.75 19.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.3 75.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 175.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.98 178.06 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.96 129.61 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -84.39 -8.35 59.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' CE ' ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.503 0.192 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.78 50.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -76.13 -123.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 166.05 155.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -129.26 -175.15 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 5' ' ' ARG . . . -35.39 92.5 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 5' ' ' ARG . 3.1 mp -41.05 110.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.734 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 8' ' ' ILE . 13.6 tt -56.49 104.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.463 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -50.15 176.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.037 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -50.63 13.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.96 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.67 -38.39 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -35.93 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.6 44.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.1 tp60 -51.61 -55.8 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 16' ' ' LEU . 7.3 tp -56.49 -41.56 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -56.64 -58.72 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.634 ' HB3' HD22 ' A' ' 61' ' ' LEU . 9.9 m-85 -51.83 -44.22 63.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.736 ' SD ' HD23 ' A' ' 106' ' ' LEU . 79.0 mtp -62.27 -56.08 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -53.17 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -39.27 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.0 165.78 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -142.57 63.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 169.62 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.7 mmtp -105.14 146.43 29.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.63 -31.86 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -64.45 -36.27 83.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.8 -33.89 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.569 HG11 ' HA ' ' A' ' 60' ' ' TYR . 72.7 t -73.89 -44.19 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.839 HD22 HD22 ' A' ' 96' ' ' LEU . 37.0 mt -67.64 -21.44 65.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -26.19 66.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.622 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 1.2 mt -82.49 -27.58 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 31.5 m-85 -77.3 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 11.2 pt-20 -103.84 -45.45 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -114.29 -32.74 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.622 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -67.18 168.95 36.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.69 -25.64 67.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -55.98 -16.97 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -75.52 -2.48 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -68.02 -26.24 65.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 3.9 m-30 -111.92 44.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 47' ' ' ALA . 75.7 t -126.96 128.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.708 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 28.2 mt-30 -117.62 121.93 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.3 58.8 4.96 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.62 22.06 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 44' ' ' GLN . . . -124.93 168.22 13.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.552 HG22 ' HG ' ' A' ' 96' ' ' LEU . 3.9 tt -141.78 151.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.16 175.81 43.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -68.46 -30.44 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.4 -54.79 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -54.44 -31.23 51.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.833 ' CE2' HD11 ' A' ' 57' ' ' LEU . 75.2 t80 -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.24 -44.47 95.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.714 ' O ' HD12 ' A' ' 59' ' ' ILE . 9.3 pt20 -75.85 -22.56 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 25.4 t80 -68.27 -40.01 82.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.833 HD11 ' CE2' ' A' ' 53' ' ' PHE . 2.3 mt -61.91 -22.69 65.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 1.3 tttt -69.82 -60.03 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 55' ' ' GLN . 4.2 mp -70.96 -45.81 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CD2' ' CD1' ' A' ' 61' ' ' LEU . 2.5 t80 -39.98 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.5 mp -83.48 -3.15 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER 69.22 6.0 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.556 HG21 HG23 ' A' ' 66' ' ' VAL . 2.0 m -55.03 152.59 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.54 -9.25 44.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 116.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -98.64 147.4 33.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.631 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.01 134.53 17.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -35.12 80.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -53.33 -41.93 66.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.96 HD12 ' OD2' ' A' ' 12' ' ' ASP . 1.7 tp -74.07 -47.59 35.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -23.19 47.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 tp -74.96 -46.87 32.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.75 64.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.742 HD22 ' HZ ' ' A' ' 53' ' ' PHE . 4.9 mt -53.44 -56.82 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 50' ' ' TYR . 12.3 t80 -62.63 -42.15 99.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -52.75 -45.05 66.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.543 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 25.2 t -85.18 48.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 77' ' ' SER . 0.9 OUTLIER 176.91 109.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -171.12 141.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' CE ' ' A' ' 1' ' ' MET . 1.6 t -83.27 -25.73 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.55 148.88 5.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.482 ' CG ' ' N ' ' A' ' 83' ' ' CYS . 18.1 t-80 178.99 165.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 82' ' ' HIS . 0.0 OUTLIER 74.79 22.45 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 108.292 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 2.0 mm? -90.76 47.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER 78.59 162.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.58 81.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 87' ' ' THR . 32.0 m -118.62 48.79 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.0 t30 42.33 41.15 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.28 39.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -81.22 -9.01 59.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.69 95.08 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -115.68 130.12 56.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.71 160.18 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.41 152.96 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.9 m -75.14 135.29 41.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.839 HD22 HD22 ' A' ' 31' ' ' LEU . 1.2 mt -85.02 -43.24 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -61.9 -44.15 97.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.22 -44.15 88.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.42 -41.48 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.406 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 47.5 t -55.32 -22.64 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.93 -50.98 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.21 -49.82 73.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.485 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.3 m-85 -61.84 -33.45 74.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 t -65.17 -38.76 91.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 108' ' ' GLY . 0.1 OUTLIER -74.82 -32.33 61.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.736 HD23 ' SD ' ' A' ' 20' ' ' MET . 3.6 mp -47.66 -61.72 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -51.07 -36.21 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . . . -111.19 45.32 1.34 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.93 51.72 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 111.99 6.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 110.33 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.52 26.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -89.05 -22.08 23.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.238 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.75 99.5 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.7 177.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 mt -101.82 177.93 4.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.26 129.61 12.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -85.5 -111.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.437 ' CB ' ' HD2' ' A' ' 3' ' ' LYS . 5.2 ttm . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.532 0.206 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.18 36.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -103.94 -132.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CD1' ' A' ' 102' ' ' TYR . 1.7 tp10 72.39 142.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.06 158.4 33.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 51.2 102.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.62 120.07 17.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.1 pt -66.81 119.76 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.89 179.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -48.57 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.656 ' OD1' ' HB3' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -64.12 -42.63 96.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.94 -45.09 93.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -57.11 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.765 ' OE1' HD22 ' A' ' 70' ' ' LEU . 13.9 tm0? -51.2 -54.14 28.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD11 HD21 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -55.37 -48.43 74.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -59.9 -57.1 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -47.4 -55.36 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.825 ' HB3' HD22 ' A' ' 61' ' ' LEU . 2.0 m-85 -61.65 -48.53 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.617 ' HA ' HD23 ' A' ' 61' ' ' LEU . 52.9 ttm -56.9 -56.34 22.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.25 -53.43 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -35.82 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -78.75 165.27 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.3 p -137.08 10.91 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -84.32 -177.81 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -134.93 155.09 51.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.89 -32.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -69.38 -22.67 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -44.71 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 33' ' ' LEU . 71.9 t -73.87 -32.43 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -55.8 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -59.35 -22.26 61.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.578 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 16.8 mt -81.63 -28.13 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CE1' ' CD1' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -75.0 -10.99 60.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 15.1 pt-20 -103.62 -45.39 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -117.47 -33.33 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.578 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.52 -175.49 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.45 -16.42 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.589 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 17.5 mmt -74.78 -11.51 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.79 -2.63 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -75.24 -22.72 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.79 49.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.563 HG22 HD12 ' A' ' 48' ' ' ILE . 38.2 t -126.46 132.22 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -105.76 89.08 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.96 -95.27 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.39 13.5 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -131.64 139.76 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.701 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 10.3 tt -119.59 158.63 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.77 -170.89 40.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -65.98 -54.4 26.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -48.74 -33.93 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -81.14 -29.39 41.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -78.28 -38.68 42.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -36.04 69.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -73.67 -26.46 60.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HD1' HG11 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -61.59 -44.28 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.885 ' HB3' HG21 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -56.06 -21.44 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.2 tttp -64.27 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.685 ' H ' HD12 ' A' ' 59' ' ' ILE . 3.9 mp -70.4 -45.51 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 2.1 t80 -39.88 -69.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -87.46 -2.75 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 4.1 tt0 66.58 8.9 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.63 HG21 HG23 ' A' ' 66' ' ' VAL . 2.4 m -58.27 155.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.79 -9.99 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.4 117.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.885 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -95.02 147.55 33.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.634 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -53.74 -42.78 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.765 HD22 ' OE1' ' A' ' 15' ' ' GLN . 3.5 tp -74.12 -44.11 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -56.65 -33.41 66.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 72' ' ' LEU . 4.7 tp -68.62 -48.36 64.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.656 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -70.2 -29.28 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.869 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.9 mt -62.72 -48.82 77.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CE2' ' OE1' ' A' ' 79' ' ' GLU . 8.5 t80 -66.19 -40.5 90.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.14 -26.79 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -71.58 -48.9 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -123.85 126.73 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 57.9 tt0 -175.47 133.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.7 p -75.92 -130.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 83' ' ' CYS . . . 123.37 -58.46 0.63 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 65.57 -75.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 109.618 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 81' ' ' GLY . 73.1 m -99.98 105.74 17.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.6 mm? -96.1 53.49 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.4 p30 174.23 69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.8 -155.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.1 m -136.29 48.57 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -159.93 64.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 89' ' ' VAL . 63.1 t -128.32 38.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -86.82 -14.5 41.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -123.32 88.22 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.92 99.24 12.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 1.1 m -114.6 177.95 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.22 159.13 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.9 t -75.14 140.12 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.15 -57.11 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -48.98 -30.28 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.6 m-20 -67.3 -41.83 84.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.449 HG13 ' CE1' ' A' ' 103' ' ' PHE . 79.4 t -72.53 -43.06 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.2 t -58.49 -23.72 58.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.1 -54.4 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 39.5 t80 -64.29 -42.66 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.496 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 5.6 m-85 -67.4 -30.0 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 109' ' ' GLY . 15.9 t -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.29 -52.64 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -61.77 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -47.34 67.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.92 -58.15 0.33 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.157 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 104' ' ' SER . . . 78.57 46.69 8.56 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.48 136.32 22.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -176.02 2.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.06 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.35 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.7 t70 59.71 75.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -164.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -70.12 164.35 24.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 115' ' ' LEU . 3.9 mm-40 -141.34 142.4 33.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -107.76 72.53 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 107.991 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.502 0.191 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.09 60.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -74.54 -124.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 61.05 141.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.06 45.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.48 110.5 2.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mp -139.33 -169.13 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.488 HD13 ' OH ' ' A' ' 102' ' ' TYR . 12.3 pt -43.45 122.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -50.42 -179.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.98 -4.91 16.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -50.03 11.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -74.94 -31.04 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.8 -42.54 93.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.85 71.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.657 ' NE2' ' CE1' ' A' ' 19' ' ' TYR . 15.8 tm0? -50.62 -53.08 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 61' ' ' LEU . 5.6 tp -62.01 -35.68 79.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.63 -56.95 15.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -60.43 -27.95 67.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -77.35 -42.66 35.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.521 ' HG3' HD21 ' A' ' 61' ' ' LEU . 91.7 mtp -78.01 -44.08 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 13.4 pt-20 -44.59 -47.27 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -73.65 -29.57 62.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.64 150.43 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.0 p -131.81 10.84 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -75.34 -176.69 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 136.68 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.731 HG22 HD23 ' A' ' 31' ' ' LEU . 1.4 p -70.1 -22.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.03 -40.86 81.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -75.59 -35.53 60.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.878 HG21 ' HA ' ' A' ' 60' ' ' TYR . 73.9 t -71.51 -29.22 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.731 HD23 HG22 ' A' ' 27' ' ' VAL . 2.2 mm? -67.02 -62.58 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -18.64 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.1 mt -66.52 -45.92 77.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.591 ' CZ ' ' CD2' ' A' ' 56' ' ' PHE . 19.6 m-85 -83.09 -12.69 56.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.62 -60.15 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -134.64 24.13 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -102.95 -156.24 25.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -23.62 47.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.55 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 32.3 mmt -83.82 11.34 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.24 -2.52 56.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 2.2 ptpt -83.36 -20.42 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 4.6 m-30 -112.0 39.63 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.3 t -123.28 135.22 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -103.5 89.09 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.93 -99.78 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.43 9.33 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.707 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -132.26 141.45 49.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 4.3 tt -109.14 153.92 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.77 173.88 54.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -72.02 -30.33 65.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.72 -51.56 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -55.77 -28.94 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -66.27 -27.09 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -60.48 -56.3 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' NE2' ' SD ' ' A' ' 39' ' ' MET . 7.3 pt20 -56.92 -30.18 63.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 2.7 t80 -56.88 -53.4 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.819 HD11 HD13 ' A' ' 74' ' ' LEU . 11.0 mt -58.54 -22.28 55.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -58.64 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 2.3 mt -73.21 -48.48 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.878 ' HA ' HG21 ' A' ' 30' ' ' VAL . 24.7 t80 -48.07 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 19' ' ' TYR . 7.2 mt -70.65 -7.67 46.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.47 13.46 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.762 HG21 HG23 ' A' ' 66' ' ' VAL . 2.9 m -70.69 155.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -13.03 52.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.73 117.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.762 HG23 HG21 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -96.31 147.87 33.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.97 137.4 21.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -35.79 78.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -52.71 -46.96 67.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.59 ' HG ' HD12 ' A' ' 74' ' ' LEU . 3.7 tp -74.28 -40.43 62.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.5 m -56.58 -35.99 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.99 -49.14 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.35 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.819 HD13 HD11 ' A' ' 57' ' ' LEU . 5.4 mt -56.48 -43.85 80.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -72.14 -39.44 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -57.36 -20.96 32.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.5 p -48.6 -39.55 24.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.774 ' CD2' HG13 ' A' ' 94' ' ' VAL . 59.8 t80 -118.09 -70.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 80' ' ' THR . 32.7 tt0 67.71 154.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLU . 2.5 p -52.89 -103.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.02 123.79 2.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -94.45 142.58 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 109.562 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.52 155.06 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 108.304 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.61 46.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -145.63 179.35 7.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -129.54 106.16 8.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 87' ' ' THR . 69.4 m -118.14 46.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.441 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.7 t30 50.71 60.28 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.52 87.39 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -122.72 -3.46 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -94.78 82.19 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -68.81 91.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.707 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 22.2 m -128.9 168.33 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.774 HG13 ' CD2' ' A' ' 78' ' ' PHE . 84.4 t -142.41 152.2 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.35 135.6 40.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 108.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.58 -25.1 49.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -74.96 -39.14 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' OD2' ' CE1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -64.03 -42.24 97.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.592 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 58.5 t -67.0 -28.06 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.658 ' HB3' HD11 ' A' ' 31' ' ' LEU . 10.3 p -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.09 -43.36 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.488 ' OH ' HD13 ' A' ' 8' ' ' ILE . 49.0 t80 -56.18 -51.76 66.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.592 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 5.8 m-85 -63.32 -41.36 98.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.0 t -58.91 -31.58 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 105' ' ' LEU . 2.3 tm? -65.54 -42.1 92.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -44.97 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.2 -11.36 39.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.31 -32.68 15.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.5 -100.51 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 143.73 82.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 154.74 43.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 113' ' ' ASP . 2.2 pm0 -86.79 -34.82 19.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 26.9 t70 58.93 43.83 17.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 -172.59 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' C ' ' CG ' ' A' ' 116' ' ' GLU . 4.1 mt -54.41 175.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' CG ' ' C ' ' A' ' 115' ' ' LEU . 1.2 mt-10 -152.8 131.27 12.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -106.23 -112.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' ALA . 25.0 ptp . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.49 0.186 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 38.85 33.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -175.2 -127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' HD11 ' A' ' 7' ' ' LEU . 3.1 tt0 173.93 -154.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 126.04 25.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.66 95.88 0.69 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.548 HD11 ' O ' ' A' ' 4' ' ' GLU . 4.8 mp -121.34 -168.15 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.3 pt -42.88 114.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -49.79 178.61 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.98 -2.12 12.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -46.56 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 3.3 m-20 -74.97 -40.05 60.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.66 -46.06 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -59.21 -43.04 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.574 ' HG3' ' CD2' ' A' ' 19' ' ' TYR . 4.2 tp-100 -62.92 -50.38 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.794 HD11 HD21 ' A' ' 74' ' ' LEU . 5.6 mt -63.62 -43.23 97.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.51 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -42.44 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.851 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.7 m-85 -72.05 -53.51 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -60.62 -21.44 62.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -53.5 57.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -22.84 67.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 118.37 29.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -118.44 14.77 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -178.96 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -105.19 142.96 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.668 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 12.4 p -72.79 -27.14 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.8 p -68.19 -22.69 64.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -73.21 -47.92 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 59' ' ' ILE . 93.0 t -66.99 -30.29 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -59.37 -52.66 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -58.23 -29.83 66.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.3 mt -65.82 -33.16 75.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.537 ' CB ' HD21 ' A' ' 96' ' ' LEU . 4.9 m-85 -79.47 -10.68 59.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -104.51 -45.16 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 7.4 t0 -114.27 -34.64 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.563 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.86 -171.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.48 -30.77 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 tpp -64.23 -9.04 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.66 -2.37 29.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -20.14 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.07 24.87 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -108.03 130.96 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.67 130.12 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 54.17 23.89 26.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 4.3 t70 82.89 -5.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.76 155.55 16.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 11.7 pt -96.62 159.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -111.86 -171.22 18.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 13.5 t80 -55.7 -57.76 10.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 0.729 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -64.06 -39.72 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.43 -24.85 66.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -76.19 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 50' ' ' TYR . 2.2 pm0 -64.6 -28.72 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -62.99 -32.66 74.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.731 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 42.1 t80 -64.5 -47.13 80.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 74' ' ' LEU . 2.4 mp -54.5 -22.22 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -68.33 -59.2 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.585 HG22 HG22 ' A' ' 30' ' ' VAL . 77.7 mt -73.13 -48.03 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 14.7 t80 -44.16 -69.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -74.71 -25.74 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER 83.28 12.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.492 HG21 HG23 ' A' ' 66' ' ' VAL . 5.7 m -66.47 165.8 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -5.08 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.39 117.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.688 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -102.5 147.62 34.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.688 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.05 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ttm105 -51.82 -26.23 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -59.16 -43.26 92.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.7 tp -71.62 -45.18 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -27.01 54.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 72' ' ' LEU . 6.5 tp -72.42 -47.1 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -72.56 -36.66 68.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.831 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.3 mt -52.74 -47.51 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.598 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 3.3 t80 -58.99 -45.34 90.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -52.85 -31.88 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.566 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.7 t -57.45 -61.07 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 77' ' ' SER . 1.0 OUTLIER -127.88 143.28 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.598 ' OE1' ' CD2' ' A' ' 75' ' ' PHE . 2.1 tt0 -155.81 -175.61 5.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.527 HG22 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER 176.15 133.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.728 ' HA3' HG11 ' A' ' 89' ' ' VAL . . . 128.29 95.89 0.85 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.64 -53.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.562 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 t 56.45 19.5 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 45.21 42.54 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 86' ' ' GLU . 2.0 t-20 -167.28 47.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 85' ' ' ASN . 2.5 pt-20 34.26 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 87' ' ' THR . 31.9 m -95.26 40.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' THR . 61.3 t30 40.54 44.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.728 HG11 ' HA3' ' A' ' 81' ' ' GLY . 3.2 t -98.17 40.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.4 p -50.98 -27.92 8.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.9 ' O ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -105.52 82.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.98 114.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.9 HG13 ' O ' ' A' ' 91' ' ' LYS . 23.5 m -123.74 172.98 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.447 ' CG2' ' CE1' ' A' ' 75' ' ' PHE . 93.5 t -140.65 151.4 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.5 t -76.15 144.24 40.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.537 HD21 ' CB ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -70.74 -43.26 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.96 -35.68 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.73 -46.89 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' CD2' ' A' ' 103' ' ' PHE . 61.7 t -68.81 -29.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 31' ' ' LEU . 38.7 t -73.82 -27.46 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.05 -49.44 15.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -54.41 -56.67 16.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.776 ' CE1' ' CE2' ' A' ' 60' ' ' TYR . 12.2 m-85 -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.7 t -59.18 -31.35 68.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' GLY . 2.9 mm? -74.48 -44.47 51.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -57.75 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -53.51 -48.57 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.65 52.92 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . -92.85 48.73 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 119.37 49.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.41 42.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -19.76 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.62 107.23 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.793 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -55.13 156.93 3.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.402 ' CG ' ' C ' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -152.26 131.76 13.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -101.99 -1.17 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 107.986 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' ALA . 77.8 mtp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.498 0.19 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 39.49 40.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -119.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 175.06 142.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.97 116.55 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.432 ' C ' HD22 ' A' ' 7' ' ' LEU . . . 72.55 108.38 0.06 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.756 HD22 ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -99.34 -164.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' A' ' 12' ' ' ASP . 20.3 pt -91.5 20.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER 52.97 172.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.25 -51.16 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.632 ' OD2' HD12 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -75.72 -35.16 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 106' ' ' LEU . 0.7 OUTLIER -61.59 -34.29 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -52.27 46.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.5 tp60 -52.27 -55.82 18.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD13 HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -51.71 -43.67 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -58.13 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -50.92 45.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.809 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.7 m-85 -60.3 -42.5 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.7 ttm -65.13 -48.23 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.5 -53.14 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.85 -39.59 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -77.96 175.72 9.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 24' ' ' THR . 1.5 t -144.06 17.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -88.78 -176.82 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.67 143.32 47.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.6 -36.98 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -24.57 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -44.03 38.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.913 HG21 ' HA ' ' A' ' 60' ' ' TYR . 88.3 t -74.93 -26.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -52.2 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -27.5 64.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 13.2 mt -69.51 -39.31 77.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.751 ' CZ ' ' HE2' ' A' ' 39' ' ' MET . 2.5 m-85 -81.59 -13.08 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -86.46 -51.16 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.76 -33.8 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.99 162.83 3.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -50.91 -21.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.751 ' HE2' ' CZ ' ' A' ' 34' ' ' PHE . 88.4 mmm -71.18 -3.94 22.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.15 -2.56 52.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -74.91 -18.08 60.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.175 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -112.4 43.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -137.45 131.88 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -102.8 79.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.52 -100.12 1.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.8 15.27 15.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.716 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -132.24 139.45 48.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.695 HD11 ' HA3' ' A' ' 52' ' ' GLY . 7.6 tt -112.91 157.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -171.17 42.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.94 -47.0 66.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -49.55 -55.58 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.695 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -56.53 -24.81 48.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.637 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -78.33 -55.11 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 1.3 pp0? -70.41 -34.45 72.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.484 ' OE1' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.755 ' CZ ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -69.59 -39.03 77.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.047 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.61 -22.25 12.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.8 tptp -67.9 -59.46 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.665 ' H ' HD12 ' A' ' 59' ' ' ILE . 3.2 mp -73.57 -47.89 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.913 ' HA ' HG21 ' A' ' 30' ' ' VAL . 6.7 t80 -40.38 -73.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.809 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.2 mp -76.78 -16.82 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 2.3 tm-20 77.41 12.91 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.576 HG21 HG23 ' A' ' 66' ' ' VAL . 5.8 m -67.22 168.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.65 -5.93 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -162.57 104.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.624 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -101.12 147.19 33.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.624 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.07 125.25 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.93 -30.21 65.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -58.01 -41.48 83.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.603 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.632 HD12 ' OD2' ' A' ' 12' ' ' ASP . 3.6 tp -74.47 -41.79 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 t -56.72 -51.81 67.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -49.5 75.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.44 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -62.89 -34.37 77.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.047 ' CD1' HD21 ' A' ' 57' ' ' LEU . 7.0 mt -66.09 -36.35 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.15 -54.09 12.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.508 ' NE2' ' HA ' ' A' ' 76' ' ' GLN . 13.8 mm100 -52.91 -34.84 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -44.87 -50.83 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -112.3 165.3 12.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 172.67 151.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -108.67 -129.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.446 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' HIS . . . -80.36 -163.19 28.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' GLY . 0.7 OUTLIER 39.65 84.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.593 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.67 -152.67 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 108.285 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 84' ' ' LEU . 1.8 mm? 61.09 42.75 12.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 m120 45.64 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.756 ' O ' HG22 ' A' ' 87' ' ' THR . 0.5 OUTLIER -118.05 24.86 10.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 86' ' ' GLU . 13.8 t 50.91 20.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -132.01 42.36 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.3 t -86.11 95.79 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.4 t -169.96 -38.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.76 100.48 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.11 133.59 12.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.716 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 8.2 m -117.92 173.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.15 153.98 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.99 138.35 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.36 -34.47 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -65.16 -31.58 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -49.77 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.609 HG12 ' CD2' ' A' ' 103' ' ' PHE . 95.4 t -65.46 -33.83 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -64.09 -25.12 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.54 -54.42 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.53 -53.94 47.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.609 ' CD2' HG12 ' A' ' 99' ' ' VAL . 2.8 m-85 -61.32 -34.8 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -59.71 -33.19 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -51.27 35.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 1.3 mp -52.61 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.55 -33.9 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.39 -67.54 2.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 162.07 70.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -113.47 96.25 39.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.43 42.88 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.464 1.771 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 113' ' ' ASP . 1.1 pm0 -91.84 -35.1 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 17.1 t70 58.14 41.88 23.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -78.96 178.89 7.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.95 177.69 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.02 130.23 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -123.45 -112.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 108.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 2' ' ' ALA . 23.3 mtm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.52 0.2 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 40.3 40.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 -128.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -177.89 -151.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -131.57 44.85 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.36 -107.48 0.21 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 76' ' ' GLN . 0.3 OUTLIER 56.19 -145.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.282 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -79.86 160.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.5 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 0.6 OUTLIER 162.87 -51.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -97.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.23 -42.9 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' CB ' ' HB ' ' A' ' 8' ' ' ILE . 1.1 m-20 -50.28 -36.57 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' HB2' ' CA ' ' A' ' 9' ' ' SER . 12.7 t80 -77.54 -38.79 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.7 -48.15 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -51.48 -54.15 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.056 HD11 HD21 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -55.42 -54.73 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -54.97 -52.74 62.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 18.9 tttt -58.18 -52.17 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.783 ' HB3' HD22 ' A' ' 61' ' ' LEU . 1.7 m-85 -48.43 -31.22 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' SER . 2.3 tpp -77.52 -29.32 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -45.18 -35.12 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -89.46 -23.41 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -75.42 116.08 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.8 p -107.9 11.17 28.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.83 170.72 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -104.79 146.16 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.82 -29.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -65.22 -28.06 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -72.56 -44.45 62.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 59' ' ' ILE . 80.0 t -68.7 -24.86 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.1 OUTLIER -60.46 -52.04 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.232 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.83 -33.97 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.7 mt -57.58 -44.04 85.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.455 ' CZ ' ' CD2' ' A' ' 56' ' ' PHE . 13.9 m-85 -81.8 -13.82 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.9 mm-40 -84.41 -57.8 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.1 -32.38 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -57.65 156.68 16.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -25.18 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.474 ' SD ' HD11 ' A' ' 59' ' ' ILE . 68.6 mmm -63.4 -11.23 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -80.67 -2.59 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -9.81 48.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.732 ' CD2' ' NE2' ' A' ' 55' ' ' GLN . 36.1 m-85 -123.5 41.47 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.6 t -131.36 127.74 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -121.75 134.48 54.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.71 34.28 36.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.21 18.52 6.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -125.06 164.11 20.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 4.6 tt -131.85 151.54 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.7 175.06 33.8 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -57.36 -46.9 82.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -52.6 -53.14 50.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.541 ' HA2' HE21 ' A' ' 55' ' ' GLN . . . -55.0 -27.95 47.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -26.96 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.34 -61.11 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.732 ' NE2' ' CD2' ' A' ' 42' ' ' TYR . 24.8 pt20 -60.93 -28.59 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 8.6 t80 -56.75 -53.11 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.834 ' HB3' HG21 ' A' ' 66' ' ' VAL . 11.5 mt -54.64 -22.22 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -57.83 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.631 HG22 HG22 ' A' ' 30' ' ' VAL . 13.0 mt -76.35 -47.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 3.5 t80 -49.13 -62.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.025 HD11 HD23 ' A' ' 16' ' ' LEU . 11.3 mt -86.37 11.44 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 39.26 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.689 HG21 HG23 ' A' ' 66' ' ' VAL . 2.7 m -86.41 153.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 14.8 p-10 -85.06 -10.67 56.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -174.93 117.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -99.37 147.29 33.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.681 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -75.0 132.28 15.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.39 -36.22 83.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -53.2 -41.41 65.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.634 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.8 tp -75.01 -44.61 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 m -56.67 -23.82 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.25 -48.43 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.22 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 16' ' ' LEU . 4.0 mt -53.06 -45.02 67.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.81 -48.81 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 32.2 mt-30 -58.66 -27.6 64.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -45.82 -28.84 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -146.96 -67.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 48.21 95.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.12 -21.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.454 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.74 -69.47 1.33 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 70.29 170.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.614 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.44 ' O ' HD22 ' A' ' 84' ' ' LEU . 0.5 OUTLIER 67.04 132.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.346 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.44 HD22 ' O ' ' A' ' 83' ' ' CYS . 2.5 mm? -122.82 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -138.19 85.32 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 85' ' ' ASN . 3.4 mm-40 34.1 88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 87' ' ' THR . 0.6 OUTLIER -118.28 24.93 10.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.6 t30 59.2 75.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.425 HG22 HG22 ' A' ' 87' ' ' THR . 0.0 OUTLIER -109.4 89.97 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.7 t -108.5 -7.46 15.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -162.14 74.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.1 111.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 7.0 m -132.81 151.39 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.36 153.55 34.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.11 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -32.8 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.0 -38.05 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.89 -42.19 85.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.617 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 10.3 t -67.3 -28.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.669 ' HB2' HD11 ' A' ' 31' ' ' LEU . 15.6 t -67.21 -31.38 71.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -38.95 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 108.254 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.88 -56.9 13.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.617 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 9.3 m-85 -62.45 -27.2 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 t -60.03 -30.15 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.642 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -74.91 -36.89 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.353 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.33 -62.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -60.74 -33.05 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.25 45.57 1.3 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -90.76 52.52 3.31 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 110.63 2.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 0.0 110.364 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.452 ' HG2' ' CG ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.0 159.68 41.05 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -95.81 -18.9 20.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.56 103.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.452 ' CG ' ' HG2' ' A' ' 111' ' ' PRO . 4.2 mtmp? -82.63 153.39 25.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.99 177.55 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.2 127.51 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -108.05 73.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 107.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.515 0.198 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.33 74.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.24 -125.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.54 ' HA ' HD11 ' A' ' 7' ' ' LEU . 1.8 tt0 61.07 142.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 0.7 OUTLIER 50.06 98.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.337 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.54 -3.98 6.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.577 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -101.18 -169.52 1.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' LEU . 31.6 pt -39.12 111.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -47.86 175.61 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.04 -2.69 12.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -79.73 -46.19 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.74 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.68 -37.14 67.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.83 81.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.586 ' CD ' ' CE2' ' A' ' 19' ' ' TYR . 3.1 tp-100 -71.34 -51.99 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.568 ' CD2' HD21 ' A' ' 61' ' ' LEU . 1.4 mt -51.6 -41.83 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.84 -56.34 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -48.91 -46.18 42.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.68 ' HB3' HD22 ' A' ' 61' ' ' LEU . 5.5 m-85 -63.82 -42.36 97.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.447 ' HE1' ' HB3' ' A' ' 106' ' ' LEU . 38.6 ttm -68.43 -40.56 81.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.39 -48.06 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.17 -41.97 94.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.82 159.12 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 24' ' ' THR . 1.3 t -147.41 18.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.12 -178.87 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 30' ' ' VAL . 12.3 mttm -104.6 146.43 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.35 -35.17 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -72.88 -27.14 61.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -75.5 -40.43 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.628 HG11 ' N ' ' A' ' 60' ' ' TYR . 98.6 t -73.2 -34.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 33.3 mt -70.43 -27.69 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -17.47 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -78.85 -39.7 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 39' ' ' MET . 3.4 m-85 -81.55 -14.46 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.97 -57.84 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.71 -32.34 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -55.69 164.66 4.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -54.14 -25.7 23.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 63.9 mmm -61.99 -13.08 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.27 -2.56 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -13.15 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -111.67 2.42 17.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 47' ' ' ALA . 2.2 t -94.41 140.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -108.99 80.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.18 -95.12 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.64 -8.05 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -105.19 174.09 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.813 ' HB ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -145.25 155.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' N ' HD13 ' A' ' 48' ' ' ILE . . . -75.03 176.84 49.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -81.2 -52.0 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -43.98 79.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.76 -39.48 67.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.641 ' HZ ' HG21 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -55.53 -27.67 50.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.7 -33.1 74.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.48 -37.92 68.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t80 -57.38 -46.16 83.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.797 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.1 mt -58.91 -22.12 58.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -70.04 -59.63 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' CG2' HG13 ' A' ' 30' ' ' VAL . 30.9 mt -72.03 -46.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' N ' HG11 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -39.51 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -82.21 -4.9 57.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.462 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 69.68 6.32 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.66 HG21 HG23 ' A' ' 66' ' ' VAL . 1.7 m -54.64 143.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.72 -11.03 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.14 116.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.797 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -91.81 147.5 35.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.653 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.93 133.05 16.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -62.37 -34.91 77.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -53.22 -45.51 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HD12 ' A' ' 74' ' ' LEU . 3.9 tp -72.64 -37.66 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -39.58 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.73 -49.23 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB1' HG22 ' A' ' 8' ' ' ILE . . . -62.84 -28.29 69.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' A' ' 57' ' ' LEU . 8.8 mt -73.02 -37.23 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -72.69 -55.12 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -57.57 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.5 t -47.6 -54.84 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 94' ' ' VAL . 2.4 p90 -126.34 137.65 53.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.751 ' C ' HG23 ' A' ' 80' ' ' THR . 36.0 tt0 -149.94 70.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.751 HG23 ' C ' ' A' ' 79' ' ' GLU . 1.2 p 69.72 -49.16 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 166.86 -85.62 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.32 165.0 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.641 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.51 133.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 84' ' ' LEU . 2.4 mm? -104.31 41.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -166.33 165.95 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ASN . 7.9 mt-10 -109.92 26.86 10.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 89' ' ' VAL . 3.1 p -64.04 74.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' GLU . 51.4 t30 54.22 40.61 31.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 87' ' ' THR . 2.0 t -92.8 38.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 14.4 t -100.87 134.56 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 90' ' ' THR . 10.9 mtpt 164.32 91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.37 65.82 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.468 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -139.11 159.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 78' ' ' PHE . 59.8 t -150.85 146.48 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.1 t -75.88 120.08 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.813 HD12 ' HB ' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -75.2 -15.18 60.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.582 ' N ' HD22 ' A' ' 96' ' ' LEU . 5.1 t-20 -76.79 -47.44 21.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.49 -31.83 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 95' ' ' CYS . 22.1 t -73.87 -32.43 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 21.3 t -62.04 -22.9 66.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.08 -55.09 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -53.74 -50.05 66.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.652 ' CE2' HG12 ' A' ' 99' ' ' VAL . 5.3 m-85 -61.54 -37.87 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -58.97 -30.18 67.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -42.61 57.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.447 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 0.3 OUTLIER -49.51 -59.02 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.33 -32.32 64.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.97 -31.47 72.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -103.03 53.55 0.74 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 149.72 93.19 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 153.87 41.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -38.5 -39.58 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -159.47 118.3 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -54.78 174.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.12 176.69 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.09 130.04 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -107.56 72.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 107.988 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.531 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.639 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.04 -1.64 11.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -79.47 -47.74 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.627 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 2.0 t80 -65.94 -33.33 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -66.82 -51.22 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.574 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -54.17 -56.24 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.647 ' CD1' HD21 ' A' ' 70' ' ' LEU . 1.1 mp -61.98 -40.45 95.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 4.8 tt0 -61.28 -61.04 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -56.93 -29.62 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -68.55 -54.14 18.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.532 ' HE1' ' HB3' ' A' ' 106' ' ' LEU . 4.0 ptp -72.68 -24.19 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 20' ' ' MET . 0.7 OUTLIER -51.81 -48.46 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -27.37 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -80.07 159.74 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 p -134.03 10.82 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -70.72 -177.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -135.31 142.56 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.34 -34.0 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 p -67.43 -22.92 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.1 -46.92 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.85 -29.97 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -54.7 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -34.66 71.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 4.3 mt -56.31 -43.7 79.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 21.7 m-85 -80.92 -13.27 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.71 -57.45 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -116.21 -32.71 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.19 -174.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -28.32 64.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.798 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.539 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -63.11 -11.37 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.9 -2.39 36.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -75.29 -17.32 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -121.4 37.59 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.2 t -122.47 135.68 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -104.29 81.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.09 -103.14 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.87 17.47 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.531 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -138.42 144.16 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.5 tt -119.05 151.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.53 -176.85 47.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -73.66 -52.98 11.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.9 -53.02 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.85 -30.81 53.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HZ ' HG11 ' A' ' 99' ' ' VAL . 2.1 t80 -64.85 -28.05 69.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.73 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -32.39 67.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 6.8 t80 -57.54 -52.59 64.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.926 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.5 mt -62.63 -23.64 67.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -59.55 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 51.2 mt -70.49 -46.8 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.3 t80 -44.23 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -83.68 7.58 17.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 61' ' ' LEU . 6.8 pt-20 47.43 24.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.583 HG21 HG23 ' A' ' 66' ' ' VAL . 10.9 m -76.93 162.49 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -97.35 -6.0 35.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.36 116.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.926 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -96.17 148.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.654 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.02 134.99 18.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -67.05 -25.23 66.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.647 HD21 ' CD1' ' A' ' 16' ' ' LEU . 3.9 tp -69.1 -41.43 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -32.94 65.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -47.61 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.627 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -71.97 -20.13 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.893 ' CD1' HD21 ' A' ' 57' ' ' LEU . 8.1 mt -70.56 -50.62 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 1.5 t80 -66.05 -41.7 90.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -54.88 -36.66 65.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -52.67 -53.57 45.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.13 133.3 35.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' OE1' ' CD2' ' A' ' 75' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.531 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 27.4 m -108.34 161.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 p -138.19 148.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.7 t -75.05 136.28 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -39.37 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -58.56 -32.43 68.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.08 -45.99 65.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.505 HG11 ' HZ ' ' A' ' 53' ' ' PHE . 78.5 t -70.44 -35.26 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -26.74 68.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.2 t -77.14 -53.98 7.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.26 -44.9 76.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.12 -32.14 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -58.76 -26.05 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -44.57 68.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.532 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 0.2 OUTLIER -50.02 -66.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.04 -0.16 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -48.47 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.943 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.06 -33.93 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.81 -44.12 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -59.5 -52.64 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.2 tp60 -50.51 -53.57 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 70' ' ' LEU . 1.4 tp -62.51 -49.84 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 20' ' ' MET . 7.9 tt0 -59.44 -18.77 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.479 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 24.6 m-85 -69.72 -44.14 70.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 17' ' ' GLN . 3.1 ppp? -68.69 -19.33 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 9.2 pt-20 -40.28 -47.26 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -85.06 -47.6 10.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 44.7 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 t -102.09 15.65 28.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -138.21 168.66 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.8 mmtm -105.39 139.56 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.23 -26.47 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.2 m -81.87 -34.9 29.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -34.62 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.768 ' HA ' HD12 ' A' ' 33' ' ' LEU . 22.8 t -67.77 -45.18 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 100' ' ' SER . 32.2 mt -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -20.89 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 30' ' ' VAL . 2.2 mt -80.73 -32.42 35.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 16.6 m-85 -81.41 -14.16 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.38 -57.77 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.24 -32.18 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.77 170.09 3.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.05 -29.51 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.454 ' SD ' HD11 ' A' ' 59' ' ' ILE . 36.8 mmt -58.32 -15.16 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -78.93 -2.39 39.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HE3' ' CE2' ' A' ' 42' ' ' TYR . 1.6 pttt -67.12 -31.26 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CE2' ' HE3' ' A' ' 41' ' ' LYS . 23.1 m-85 -108.11 33.95 3.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -117.84 130.97 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -101.81 81.09 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.4 -94.12 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.05 18.67 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 94' ' ' VAL . . . -138.71 138.8 38.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.6 tt -116.02 157.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.18 -179.92 52.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' CD2' ' N ' ' A' ' 51' ' ' GLU . 2.9 t80 -69.0 -57.0 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' N ' ' CD2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -50.86 -44.93 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.267 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.83 -39.99 70.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.613 ' HZ ' HG11 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -54.94 -27.69 45.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.013 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.62 -32.09 73.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -75.12 -29.94 60.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 49.4 t80 -68.76 -48.08 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.86 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.3 mt -59.58 -21.81 60.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 3.2 tttt -69.65 -59.48 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.454 HD11 ' SD ' ' A' ' 39' ' ' MET . 11.5 mt -73.84 -47.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.636 ' HA ' HG21 ' A' ' 30' ' ' VAL . 3.5 t80 -40.38 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.443 HD11 HD23 ' A' ' 57' ' ' LEU . 1.9 mp -75.32 -21.32 58.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER 82.28 10.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.646 HG21 HG23 ' A' ' 66' ' ' VAL . 4.3 m -65.09 157.68 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.66 -7.86 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -175.2 117.46 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -95.31 147.54 33.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.4 Cg_endo -74.98 137.94 22.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -66.74 -33.35 75.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -53.81 -47.08 71.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.943 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.3 tp -71.81 -46.7 57.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -23.67 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ARG . 9.8 tp -74.65 -49.2 22.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.19 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.74 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.0 mt -58.77 -50.99 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 79' ' ' GLU . 19.8 t80 -71.9 -43.16 65.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.98 -31.06 38.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -55.57 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.27 142.02 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 75' ' ' PHE . 13.8 pt-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.8 m -136.54 174.19 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' ALA . 6.2 p -145.01 153.57 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.808 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.7 m -75.04 137.46 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mt -85.12 -57.95 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -49.26 -39.04 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -36.92 85.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 95' ' ' CYS . 82.6 t -74.81 -34.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.411 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 2.4 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.56 -48.99 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.445 ' CE1' HD13 ' A' ' 106' ' ' LEU . 1.8 t80 -53.07 -46.05 68.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.593 ' CD1' ' OH ' ' A' ' 60' ' ' TYR . 28.2 m-85 -67.65 -32.9 73.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.3 t -59.07 -41.13 87.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -37.59 67.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -52.59 -62.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.729 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.23 -50.6 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.7 -48.8 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -63.39 -57.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -54.37 -56.35 19.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.847 HD23 HD11 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -50.65 -54.16 25.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.75 -59.32 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -49.9 -57.52 7.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.782 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.4 m-30 -54.42 -40.08 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 ttm -67.32 -45.46 76.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -53.19 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.79 -29.48 64.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.64 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -146.48 18.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -98.05 169.35 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -105.17 142.78 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.85 -28.65 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 p -65.85 -22.71 66.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -42.19 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.0 HG22 HG22 ' A' ' 59' ' ' ILE . 98.3 t -73.24 -32.71 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -53.88 50.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -33.28 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.4 mt -63.8 -36.77 85.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 6.1 m-85 -80.98 -13.59 58.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.95 -57.55 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -116.0 -32.46 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.62 -174.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.13 -34.52 77.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.569 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 34.1 mmt -57.53 -15.47 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.5 -2.7 30.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -30.23 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -113.61 38.04 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 t -123.38 139.77 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -101.91 100.35 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.83 -102.58 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.97 17.28 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -133.13 134.93 44.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -116.54 148.69 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -88.34 -179.2 46.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -69.86 -27.42 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 0.794 . . . . 0.0 110.951 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -47.11 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' HD11 ' A' ' 48' ' ' ILE . . . -60.87 -34.12 86.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.637 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -61.57 -28.31 69.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -55.15 -47.0 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -28.63 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.513 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 18.1 t80 -57.72 -48.87 78.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.931 ' HB3' HG21 ' A' ' 66' ' ' VAL . 4.5 mt -55.72 -22.0 21.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -69.37 -59.98 2.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.0 HG22 HG22 ' A' ' 30' ' ' VAL . 34.9 mt -72.11 -43.49 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.786 ' HE2' HD11 ' A' ' 16' ' ' LEU . 1.5 t80 -39.73 -72.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -87.21 -1.1 57.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER 67.52 7.98 5.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -54.57 162.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.13 -9.79 23.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.86 116.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.931 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -100.83 147.82 34.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.4 Cg_endo -75.03 128.41 11.44 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.788 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -32.38 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -53.43 -46.31 69.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.847 HD11 HD23 ' A' ' 16' ' ' LEU . 2.5 tp -72.14 -46.19 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -26.01 55.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.93 -49.05 26.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.81 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.845 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.2 mt -54.85 -44.72 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -72.67 -39.06 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -66.94 -26.1 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -62.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 19.2 m -143.51 171.86 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.2 155.11 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.643 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -75.04 138.67 42.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.38 -32.7 64.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -65.84 -32.75 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.27 -39.65 62.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 95' ' ' CYS . 45.7 t -74.77 -29.56 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -65.8 -22.39 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.17 -54.98 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 108.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -54.05 -45.15 71.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.534 ' CD2' HG12 ' A' ' 99' ' ' VAL . 2.5 m-85 -66.73 -30.5 70.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.6 t -63.8 -26.45 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -35.88 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -62.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -50.17 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.764 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -75.47 -41.42 55.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.62 -34.68 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -56.92 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.6 tp60 -51.71 -56.22 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.671 HD13 HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -52.75 -42.74 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -58.08 -58.17 9.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -53.53 -57.92 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.896 ' HB3' HD22 ' A' ' 61' ' ' LEU . 8.9 m-85 -53.66 -41.27 66.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.6 ttm -69.5 -40.15 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -50.75 -34.52 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -41.07 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.88 143.24 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.5 p -135.86 11.26 3.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -81.4 -178.88 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.9 mmtt -105.08 143.15 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.87 -26.51 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -34.8 73.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -76.07 -30.59 58.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 60' ' ' TYR . 67.4 t -71.93 -37.0 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 96' ' ' LEU . 16.6 mt -70.9 -30.84 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -25.33 63.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 10.1 mt -73.88 -32.76 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 37.8 m-85 -81.39 -14.67 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.7 pt-20 -83.28 -47.52 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -129.44 -34.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -49.82 -178.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -36.29 77.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.66 ' SD ' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -58.65 -14.32 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . -74.63 -2.65 27.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -77.24 -21.65 53.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -122.45 51.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.573 HG22 HD12 ' A' ' 48' ' ' ILE . 74.7 t -133.35 131.64 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -104.36 81.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.368 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.28 -98.15 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.47 11.4 9.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -128.36 134.63 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.67 HD11 ' HA3' ' A' ' 52' ' ' GLY . 19.8 tt -117.19 156.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -172.7 42.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CE2' ' NH1' ' A' ' 68' ' ' ARG . 7.9 t80 -62.76 -52.07 64.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.62 -39.38 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.67 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -81.04 -38.84 14.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' HE1' HG11 ' A' ' 99' ' ' VAL . 33.5 t80 -65.41 -40.51 93.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.769 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -28.96 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.763 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 5.4 t80 -57.16 -45.25 83.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.917 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.1 mp -54.73 -22.35 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 45.5 tttt -68.62 -59.16 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.66 HD11 ' SD ' ' A' ' 39' ' ' MET . 44.2 mt -73.03 -47.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.763 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 2.3 t80 -40.25 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.896 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -85.8 -10.73 54.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.8 mt-10 73.75 2.99 4.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.62 HG21 HG23 ' A' ' 66' ' ' VAL . 1.5 m -50.74 152.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.17 -10.71 54.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.04 117.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.917 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -95.22 147.34 32.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -74.98 130.55 13.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.751 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.459 ' NH1' ' CE2' ' A' ' 50' ' ' TYR . 1.8 ttt-85 -62.34 -32.06 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -54.71 -44.74 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.58 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.686 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.5 tp -68.02 -46.55 70.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -27.04 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.02 -49.1 39.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.764 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -70.88 -31.48 68.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' A' ' 57' ' ' LEU . 7.0 mt -61.31 -40.9 95.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -74.16 -42.03 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -52.0 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -89.3 169.23 11.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.593 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 6.2 m -144.38 171.19 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 p -148.68 154.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.814 ' O ' HG23 ' A' ' 99' ' ' VAL . 51.4 m -74.96 134.93 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 48' ' ' ILE . 1.2 mt -82.0 -48.33 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -52.41 -39.44 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.17 -38.68 88.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 95' ' ' CYS . 92.9 t -72.55 -37.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.9 t -71.45 -47.0 58.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -55.85 -48.84 74.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.704 ' CE2' HG12 ' A' ' 99' ' ' VAL . 14.6 m-85 -65.46 -37.15 86.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 t -59.02 -37.36 76.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -35.21 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -66.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.01 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -51.3 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.882 ' OD1' HD12 ' A' ' 70' ' ' LEU . 21.6 t70 -75.47 -34.97 60.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.14 -45.11 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -54.71 -40.61 69.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.642 ' NE2' ' CD1' ' A' ' 19' ' ' TYR . 3.6 tp60 -70.76 -49.7 43.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.812 HD12 HD11 ' A' ' 61' ' ' LEU . 5.4 tp -59.59 -43.37 93.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.54 -44.77 89.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -62.3 -43.27 99.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.642 ' CD1' ' NE2' ' A' ' 15' ' ' GLN . 2.2 m-85 -71.97 -55.32 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.28 -20.81 57.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 mm-40 -65.57 -46.04 80.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.61 -42.34 96.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 169.9 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 24' ' ' THR . 0.9 OUTLIER -155.01 23.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -78.48 179.03 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -105.25 135.81 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.28 -24.1 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -22.7 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.38 -45.73 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 60' ' ' TYR . 70.8 t -72.26 -31.89 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -58.25 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 7.2 pttp -58.47 -31.55 67.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.506 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 5.2 mt -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 14.1 m-85 -81.33 -13.72 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.47 -57.55 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.75 -32.45 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.02 -170.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.06 -32.75 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.572 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 29.6 mmt -56.24 -16.54 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -75.38 -2.77 30.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.53 -13.13 62.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -128.23 49.52 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 48' ' ' ILE . 69.1 t -139.98 129.16 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.62 116.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 60.62 30.82 73.1 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.593 ' O ' HD12 ' A' ' 96' ' ' LEU . 3.9 t70 82.52 -4.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 93' ' ' VAL . . . -100.3 134.84 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.44 ' HB ' HG22 ' A' ' 43' ' ' VAL . 9.9 tt -107.8 156.05 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.81 -174.24 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CD1' ' CG ' ' A' ' 75' ' ' PHE . 4.4 t80 -80.79 -34.03 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -44.88 67.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.45 -40.24 68.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.67 -26.59 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.01 -43.69 82.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.235 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.516 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.5 pt20 -74.25 -22.93 59.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.241 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.475 ' CE1' ' CG ' ' A' ' 60' ' ' TYR . 19.9 t80 -68.28 -48.57 64.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.677 HD11 HD13 ' A' ' 74' ' ' LEU . 3.8 mt -54.88 -23.43 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -66.57 -59.55 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.686 ' H ' HD12 ' A' ' 59' ' ' ILE . 5.0 mp -72.61 -48.15 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 6.5 t80 -49.03 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.812 HD11 HD12 ' A' ' 16' ' ' LEU . 8.2 mt -71.0 -7.42 46.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.7 OUTLIER 66.01 9.9 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.656 HG21 HG23 ' A' ' 66' ' ' VAL . 1.8 m -71.48 149.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -91.14 -13.91 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -163.26 103.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.768 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -93.74 147.88 34.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 133.7 16.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 69' ' ' HIS . 4.5 ptt180 -63.35 -26.8 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.42 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 3.5 t-160 -59.04 -45.78 89.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.594 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.882 HD12 ' OD1' ' A' ' 12' ' ' ASP . 3.0 tp -72.01 -43.54 64.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -56.82 -41.44 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.38 -49.27 77.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -67.62 -30.33 69.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.757 HD12 ' HG ' ' A' ' 70' ' ' LEU . 6.4 mt -67.41 -44.7 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 29.5 t80 -75.0 -53.87 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.63 -20.89 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 8.4 t -44.96 -50.75 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 77' ' ' SER . 2.9 m-85 -152.07 -175.29 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.47 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 17.1 m -119.74 175.3 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 48' ' ' ILE . 87.1 t -133.78 150.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.9 t -75.69 137.74 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -85.13 -50.99 6.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -52.85 -39.88 62.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.84 -54.52 46.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.645 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 68.4 t -61.77 -38.0 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 31' ' ' LEU . 35.4 t -61.55 -23.24 65.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -41.48 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.467 ' CZ ' HD11 ' A' ' 106' ' ' LEU . 44.4 t80 -64.16 -55.79 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.645 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 13.3 m-85 -58.61 -25.89 63.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.1 t -61.8 -40.74 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -30.39 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 ' CZ ' ' A' ' 102' ' ' TYR . 1.1 mp -58.42 -64.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.537 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.625 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -48.52 14.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -37.78 60.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.91 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -57.61 -57.33 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' HD22 ' A' ' 70' ' ' LEU . 14.6 tm0? -54.99 -55.58 29.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.837 HD11 HD21 ' A' ' 74' ' ' LEU . 4.3 mt -54.65 -41.85 70.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.86 -60.35 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -51.43 -59.01 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.76 ' HB3' HD22 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -51.41 -53.65 34.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.667 ' SD ' HD23 ' A' ' 106' ' ' LEU . 91.9 mtp -57.41 -47.71 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -44.85 -37.59 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.335 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -36.98 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.18 158.61 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -137.39 14.25 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -175.4 3.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.1 mttt -134.76 141.65 46.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.656 HG23 ' CE1' ' A' ' 56' ' ' PHE . 13.1 p -71.48 -31.25 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -63.3 -42.04 99.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.042 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.82 -38.78 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 26' ' ' LYS . 22.2 t -59.85 -37.28 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.893 ' CD2' HD22 ' A' ' 96' ' ' LEU . 41.2 mt -60.72 -24.3 65.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -58.58 -25.52 62.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.619 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 3.1 mt -82.51 -27.66 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 39' ' ' MET . 30.4 m-85 -76.68 -11.49 59.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 10.9 pt-20 -103.33 -45.29 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -114.97 -33.02 5.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.619 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -62.78 155.28 41.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.45 -22.47 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.568 ' HG2' ' CE1' ' A' ' 34' ' ' PHE . 16.1 tpp -62.12 -12.07 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.28 -2.37 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -73.95 -30.4 62.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -105.07 33.24 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 47' ' ' ALA . 78.3 t -125.53 128.6 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -97.27 95.99 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 -95.99 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -122.22 22.1 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.7 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -132.19 178.09 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.558 HD11 ' HA3' ' A' ' 52' ' ' GLY . 15.1 tt -145.31 152.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.07 -175.43 50.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -70.89 -40.11 72.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.07 -17.34 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.558 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -74.82 -24.0 73.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.74 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -69.79 -51.65 32.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -75.22 -24.0 57.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.67 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 3.3 t80 -75.45 -46.08 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.06 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -54.59 -21.89 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 7.7 tttm -68.42 -59.45 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.41 ' CD1' ' HE2' ' A' ' 39' ' ' MET . 19.3 mt -73.85 -45.33 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.67 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 3.9 t80 -39.69 -64.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -91.12 -7.69 50.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.53 4.02 4.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.536 HG21 HG23 ' A' ' 66' ' ' VAL . 1.1 m -51.12 158.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 12.1 t70 -96.68 -9.2 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.43 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -170.57 116.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.97 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -101.88 147.9 34.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.673 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.1 Cg_endo -75.02 120.24 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -30.56 64.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -53.09 -51.1 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.572 ' HG ' HD12 ' A' ' 74' ' ' LEU . 1.1 tp -70.09 -46.47 64.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -56.39 -26.36 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.84 -49.07 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.27 -34.48 68.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.06 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.8 mt -56.18 -41.66 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.477 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . 21.2 t80 -71.68 -36.54 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.19 -41.03 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -45.63 -63.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -120.34 129.72 54.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HG3' ' CE1' ' A' ' 75' ' ' PHE . 4.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.487 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 2.2 m -107.38 139.14 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -121.11 133.42 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.4 t -64.24 130.14 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.893 HD22 ' CD2' ' A' ' 31' ' ' LEU . 3.9 mt -70.04 -44.21 69.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -50.19 -34.12 21.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.472 ' OD1' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -70.32 -37.94 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.41 -38.69 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 104' ' ' SER . 12.0 t -56.11 -23.6 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 109.982 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.7 -51.79 10.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -53.12 -54.99 27.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.466 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.48 -33.07 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 100' ' ' SER . 2.2 t -59.02 -29.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.7 -41.82 59.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.667 HD23 ' SD ' ' A' ' 20' ' ' MET . 8.5 mp -58.12 -57.74 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -50.93 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.1 -35.03 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -72.01 -36.37 69.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -69.77 -38.78 76.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.596 ' OE1' ' CD2' ' A' ' 19' ' ' TYR . 2.7 tp-100 -63.46 -52.84 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.629 ' CD1' HD21 ' A' ' 70' ' ' LEU . 2.2 tp -58.63 -48.55 80.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -63.94 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.03 -52.74 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.596 ' CD2' ' OE1' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -63.29 -51.5 65.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -61.61 -24.02 66.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -65.29 -53.87 37.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.49 -44.15 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.23 163.28 25.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -126.31 17.46 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -176.88 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -134.97 147.5 49.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.674 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 8.2 p -64.7 -30.99 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -75.96 -47.68 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.9 -35.24 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 100' ' ' SER . 13.2 mt -71.27 -37.13 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.6 -22.15 55.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.2 mt -77.69 -33.69 53.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.517 ' CG ' ' HB3' ' A' ' 39' ' ' MET . 7.3 m-85 -80.55 -13.83 58.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.34 -57.72 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 -32.45 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -50.8 -176.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.41 -29.36 67.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.517 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -56.83 -16.5 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.28 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 16.3 ptpt -67.89 -35.32 78.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 21.6 m-30 -110.4 41.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 39' ' ' MET . 81.2 t -123.24 141.7 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -113.64 80.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.69 -97.74 1.86 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 96' ' ' LEU . 31.3 m-20 -123.78 1.47 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.758 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -105.25 144.92 31.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.585 HG23 ' HG ' ' A' ' 96' ' ' LEU . 11.4 pt -109.97 158.6 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 156.25 21.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -59.68 -36.52 76.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -72.54 -48.52 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.6 -39.08 65.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.697 ' HE1' HD11 ' A' ' 57' ' ' LEU . 9.7 t80 -55.84 -26.85 48.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.05 -31.41 72.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -34.37 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.674 ' HZ ' HG23 ' A' ' 27' ' ' VAL . 65.6 t80 -56.19 -43.49 78.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.931 ' HB3' HG21 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -59.96 -22.25 62.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -70.04 -59.49 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.52 -47.87 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 3.6 t80 -40.69 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.708 HD11 HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -80.04 -4.17 51.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 65.77 10.51 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.622 HG21 HG23 ' A' ' 66' ' ' VAL . 3.8 m -62.56 160.6 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 11.2 t70 -102.32 -9.32 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -165.72 112.94 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.931 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -99.64 147.65 33.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.618 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.02 140.98 26.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -71.45 -29.36 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -56.56 -49.59 74.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.63 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.706 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.9 tp -71.65 -46.46 58.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -32.04 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 72' ' ' LEU . 3.5 tp -69.73 -48.9 57.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' HA ' ' CG ' ' A' ' 76' ' ' GLN . . . -70.35 -27.02 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.2 mt -67.32 -30.07 69.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.455 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.3 t80 -74.35 -55.27 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.471 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 5.3 pt20 -62.55 -23.49 67.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 t -50.82 -28.07 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 98' ' ' ASP . 2.8 m-85 -143.71 162.8 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.758 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 28.7 m -108.03 173.57 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.482 HG13 ' CG1' ' A' ' 48' ' ' ILE . 2.5 p -148.03 152.22 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.95 137.41 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -68.56 -50.7 49.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.25 -42.76 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.9 m-20 -58.18 -41.18 83.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.64 -35.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.636 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.7 t -68.81 -26.45 65.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -37.23 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -73.04 -48.86 32.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 5.3 m-85 -67.87 -26.1 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 t -64.82 -25.02 67.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.05 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.44 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -0.1 9.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -48.29 14.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.727 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -74.86 -35.49 62.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -45.32 80.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.91 15.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.57 -53.9 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 16' ' ' LEU . 5.3 tp -58.13 -41.73 84.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -56.69 -55.44 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -59.16 -59.02 6.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 61' ' ' LEU . 1.8 m-85 -51.58 -53.6 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 27.1 mmm -52.92 -49.24 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -40.93 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -39.31 69.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -78.17 136.33 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -132.37 18.02 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -179.74 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -105.09 146.87 28.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.96 -34.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -65.45 -32.78 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.09 -40.46 68.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 60' ' ' TYR . 45.7 t -72.34 -37.78 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 31' ' ' LEU . 31.8 mt -66.94 -25.54 66.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -58.98 -25.77 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD12 HG21 ' A' ' 59' ' ' ILE . 11.1 mt -73.43 -31.95 64.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 56' ' ' PHE . 52.3 m-85 -80.83 -14.1 58.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.93 -57.57 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.02 -32.09 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.22 -172.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.35 -18.2 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' HD11 ' A' ' 59' ' ' ILE . 34.7 mmm -71.74 -3.76 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.81 -2.5 43.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -15.98 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -110.84 26.69 10.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 47' ' ' ALA . 8.9 t -112.39 136.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.783 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 3.8 mt-30 -131.64 122.97 26.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' ALA . . . 41.8 69.21 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.76 24.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 44' ' ' GLN . . . -129.79 175.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' VAL . 9.1 tt -138.91 150.9 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.98 -170.98 29.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.75 -57.01 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -35.39 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.42 -28.82 59.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.746 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -74.99 -52.71 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -31.49 71.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -74.63 -38.58 62.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 60' ' ' TYR . 1.6 t80 -56.88 -45.06 82.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.951 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -55.09 -22.38 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -59.47 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.543 HG21 HD12 ' A' ' 33' ' ' LEU . 13.7 mt -72.49 -46.76 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 28.0 t80 -46.41 -65.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.4 mp -85.67 8.91 17.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.1 28.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 61' ' ' LEU . 11.9 m -77.21 167.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.62 -5.52 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.3 117.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.722 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -103.29 147.6 34.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.722 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.99 124.59 8.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -32.92 70.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -43.64 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.557 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.65 ' HG ' HD12 ' A' ' 74' ' ' LEU . 1.7 tp -73.43 -48.49 33.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -24.16 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 72' ' ' LEU . 4.3 tp -75.18 -49.14 20.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.727 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -72.82 -33.01 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.951 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.0 mt -53.19 -50.8 63.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -74.1 -41.26 61.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -24.48 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' ALA . 32.0 p -73.47 -35.92 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.412 ' CZ ' HG22 ' A' ' 99' ' ' VAL . 37.7 m-85 -88.21 -85.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 6.0 m -142.17 168.53 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ILE . 93.3 t -148.5 152.66 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.646 ' O ' HG23 ' A' ' 99' ' ' VAL . 36.5 t -75.41 133.91 41.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.77 -44.37 18.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -61.26 -33.82 74.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' CB ' ' HB3' ' A' ' 95' ' ' CYS . 12.6 t70 -68.31 -41.57 80.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 95' ' ' CYS . 96.2 t -71.94 -28.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -71.66 -26.77 62.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.7 t -76.3 -48.1 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.49 -53.56 54.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.645 ' CD2' HG12 ' A' ' 99' ' ' VAL . 1.8 m-85 -58.9 -33.84 71.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 t -59.65 -37.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.35 -50.97 26.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.454 ' HB3' ' HE2' ' A' ' 20' ' ' MET . 0.7 OUTLIER -49.75 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.41 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.99 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.3 -50.15 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.621 ' OD1' ' HB3' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -75.61 -38.13 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 5.7 t80 -62.9 -36.16 82.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -61.49 -56.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.36 -56.42 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.967 HD13 HD11 ' A' ' 70' ' ' LEU . 3.0 tp -56.54 -44.41 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 15.0 tt0 -61.7 -62.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -48.76 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.764 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.3 m-85 -64.46 -54.03 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.458 ' HG3' HD21 ' A' ' 61' ' ' LEU . 51.6 mtp -53.65 -49.65 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -24.43 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.64 140.26 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -120.51 15.85 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -94.05 -176.71 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -134.77 142.03 46.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.538 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 9.3 p -64.51 -33.69 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -65.48 -26.29 67.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -76.16 -48.12 21.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.791 HG21 ' HA ' ' A' ' 60' ' ' TYR . 97.4 t -67.29 -29.81 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -56.96 -54.51 45.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 5.8 pttt -58.74 -28.48 65.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 33' ' ' LEU . 6.5 mt -67.91 -38.24 82.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 0.8 OUTLIER -81.17 -13.46 58.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -84.94 -57.69 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -32.41 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.235 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.13 -175.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.58 -23.09 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.56 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -67.83 -7.01 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.69 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -111.82 37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 47' ' ' ALA . 76.0 t -124.15 129.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 11.0 mt-30 -118.9 123.65 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.29 44.93 52.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.92 19.34 11.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.595 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -124.87 174.44 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.578 HD13 ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -137.59 149.2 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.578 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -102.06 -177.64 27.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -69.93 -30.37 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.16 -55.58 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.52 -37.78 61.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 74' ' ' LEU . 38.8 t80 -57.08 -26.33 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 111.051 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.61 -43.32 89.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.36 -21.94 59.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.538 ' HZ ' HG23 ' A' ' 27' ' ' VAL . 57.3 t80 -70.86 -45.77 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.845 HD11 HD13 ' A' ' 74' ' ' LEU . 7.9 mt -60.35 -23.53 64.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 18.8 tttm -66.5 -60.07 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 55' ' ' GLN . 4.7 mp -73.24 -48.46 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.791 ' HA ' HG21 ' A' ' 30' ' ' VAL . 8.9 t80 -47.72 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.764 HD22 ' HB3' ' A' ' 19' ' ' TYR . 9.0 mt -76.37 -1.91 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.37 16.85 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -76.15 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.01 -11.12 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.26 115.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.781 HG23 HG21 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -98.37 147.38 33.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.693 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 138.3 22.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -29.97 68.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.01 -42.46 80.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.967 HD11 HD13 ' A' ' 16' ' ' LEU . 3.8 tp -73.57 -41.93 62.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -30.52 62.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.2 -47.31 51.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.621 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -69.88 -36.08 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 57' ' ' LEU . 3.8 mt -52.84 -51.92 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -53.13 -24.23 9.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 t -63.56 -53.18 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.85 143.92 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 33.6 m -127.39 176.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.9 p -162.03 157.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.4 t -74.9 135.38 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -43.66 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.64 -32.94 70.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.89 -40.29 91.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.1 -32.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.703 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.7 t -73.6 -22.6 59.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.11 -47.24 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 108.261 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.88 -54.12 46.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.57 -33.94 70.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.9 t -59.11 -30.33 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.552 ' N ' HD23 ' A' ' 105' ' ' LEU . 3.1 mt -74.48 -36.02 63.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.92 -45.46 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.0 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -79.42 -52.05 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.596 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -76.6 -39.54 52.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 9.6 t80 -63.66 -39.08 93.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -62.24 -55.82 24.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -53.39 -55.99 20.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.715 HD23 HD11 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -58.64 -50.09 75.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -55.44 -44.85 76.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 7.1 tttt -68.82 -59.15 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.703 ' CD2' HG11 ' A' ' 63' ' ' VAL . 5.3 m-85 -48.53 -31.24 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' SER . 10.0 tpp -77.39 -38.71 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -40.57 -33.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.524 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -86.51 -36.96 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -74.87 123.81 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 24' ' ' THR . 1.7 t -125.89 16.92 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.26 -179.49 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -104.92 140.27 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.21 -22.93 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -70.04 -24.47 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -45.44 55.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.6 t -70.53 -27.52 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -58.49 -56.03 27.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -58.88 -34.98 72.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -56.19 -43.81 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 12.0 m-85 -81.89 -13.76 57.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.7 mm-40 -85.15 -57.87 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -113.93 -32.44 6.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -60.24 157.98 27.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -46.56 -28.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.477 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 8.7 mmt -56.88 -16.55 6.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -77.19 -2.5 34.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -27.22 67.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -109.61 31.27 5.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 47' ' ' ALA . 77.7 t -124.27 129.41 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.492 HE21 ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -105.44 131.35 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.39 -98.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -135.34 19.3 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -131.83 170.27 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 9.3 tt -131.18 157.59 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.2 -175.18 42.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 26.2 t80 -78.96 -25.64 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.42 67.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.3 -40.84 98.24 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 99' ' ' VAL . 2.5 m-85 -54.74 -27.88 44.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.51 -61.04 2.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.24 -28.24 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 16.7 t80 -58.41 -51.44 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.882 HD21 ' CD1' ' A' ' 74' ' ' LEU . 4.2 mt -54.72 -22.33 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -66.65 -59.06 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.6 -47.97 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.74 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 8.8 t80 -49.25 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.715 HD11 HD23 ' A' ' 16' ' ' LEU . 9.5 mt -69.09 -8.89 49.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.67 32.85 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.703 HG11 ' CD2' ' A' ' 19' ' ' TYR . 1.8 m -97.06 161.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.459 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 23.2 t0 -97.36 -14.09 21.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -163.53 106.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.776 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -95.02 148.7 35.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.776 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.1 Cg_endo -74.97 128.62 11.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -35.27 74.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -38.83 62.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.596 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.9 tp -74.21 -46.19 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 p -57.44 -30.52 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 tp -70.17 -49.22 52.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.27 -33.11 71.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.882 ' CD1' HD21 ' A' ' 57' ' ' LEU . 5.4 mt -54.71 -43.37 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 50' ' ' TYR . 3.6 t80 -68.61 -48.29 64.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.36 -46.19 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 t -45.97 -60.29 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -121.48 126.89 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.506 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 5.5 m -118.02 171.15 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.15 153.46 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 98' ' ' ASP . 1.2 m -74.93 136.53 41.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 108.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -54.3 10.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -55.07 -31.64 61.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.455 ' HB2' ' CB ' ' A' ' 95' ' ' CYS . 0.4 OUTLIER -65.82 -43.61 88.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.552 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 53.4 t -67.73 -32.31 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.6 t -66.04 -24.12 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.2 t -77.0 -50.68 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 108.34 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.429 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 27.9 t80 -60.77 -54.35 46.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.74 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-30 -58.29 -33.27 69.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.5 t -58.97 -35.09 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -36.66 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.418 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.93 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -39.73 63.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.911 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -74.74 -50.32 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -40.75 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.36 96.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' OE1' ' CD1' ' A' ' 19' ' ' TYR . 2.8 tp60 -70.84 -52.68 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.764 HD11 HD21 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -52.38 -45.28 65.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -56.26 -63.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.19 -53.22 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.591 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 1.8 m-85 -57.71 -42.79 84.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 mtp -61.68 -44.92 96.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -53.85 5.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -39.62 68.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 134.17 41.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 24' ' ' THR . 1.3 t -117.02 20.42 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -97.7 164.1 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 4.9 mmtm -105.09 146.01 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.61 -23.36 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -65.95 -32.52 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.28 -41.4 70.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.91 HG21 ' HA ' ' A' ' 60' ' ' TYR . 54.4 t -74.18 -25.52 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -63.65 -54.89 28.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -58.2 -31.35 67.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.1 mt -59.71 -45.16 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 15.0 m-85 -81.54 -13.67 57.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.3 mm-40 -84.03 -57.74 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -115.95 -32.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -54.9 176.19 0.5 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.42 -21.5 66.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.585 ' SD ' HD12 ' A' ' 59' ' ' ILE . 33.8 mmt -66.24 -8.52 25.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.61 -2.19 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.2 -12.07 59.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.565 ' CD1' ' HA2' ' A' ' 52' ' ' GLY . 12.7 m-85 -108.29 18.54 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -119.62 128.42 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -123.04 125.8 45.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.79 31.57 46.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.504 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 1.4 t0 80.43 -1.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -106.68 130.1 54.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 94' ' ' VAL . 6.1 tt -92.85 150.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.8 165.21 29.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.66 -37.89 83.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 1.4 tt0 -68.12 -46.58 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.565 ' HA2' ' CD1' ' A' ' 42' ' ' TYR . . . -56.54 -38.34 80.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -56.76 -27.62 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 3.5 mm-40 -61.45 -59.57 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.457 ' CD ' ' CD2' ' A' ' 42' ' ' TYR . 5.3 pt20 -57.16 -23.83 50.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 1.9 t80 -66.35 -50.83 62.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.906 ' HB3' HG21 ' A' ' 66' ' ' VAL . 3.7 mt -63.95 -22.63 67.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.9 tttm -68.07 -59.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.585 HD12 ' SD ' ' A' ' 39' ' ' MET . 50.3 mt -71.83 -48.48 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.91 ' HA ' HG21 ' A' ' 30' ' ' VAL . 15.3 t80 -45.6 -68.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 19' ' ' TYR . 4.8 mt -76.53 -13.58 60.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.82 4.91 5.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.655 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -61.03 158.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -86.94 -14.06 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.51 116.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.906 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -87.32 148.44 44.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.623 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 132.51 15.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -61.27 -32.51 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -53.31 -49.08 67.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.65 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.911 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.6 tp -74.74 -46.62 36.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.17 -25.24 58.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' ARG . 6.2 tp -75.1 -49.18 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.71 -26.99 62.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.825 HD13 HD11 ' A' ' 57' ' ' LEU . 5.8 mt -60.5 -40.64 92.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.35 -40.73 77.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.1 -20.58 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -68.68 73.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 36.8 t80 60.74 166.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.909 ' HA ' HG22 ' A' ' 94' ' ' VAL . 14.5 mp0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.576 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 7.1 m -134.85 161.74 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 79' ' ' GLU . 90.4 t -131.58 149.08 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.44 97.29 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 96' ' ' LEU . 1.5 pt? -48.32 -24.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -74.47 -47.32 34.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -26.94 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 103' ' ' PHE . 76.5 t -75.06 -30.76 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 31' ' ' LEU . 9.4 t -59.77 -33.32 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.15 -54.71 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.493 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.6 OUTLIER -52.61 -38.27 59.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -74.12 -31.04 62.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.5 t -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -37.1 63.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 102' ' ' TYR . 3.3 mm? -47.83 -51.37 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.0 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -49.04 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.633 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -74.9 -38.02 61.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.1 -35.31 79.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.9 -56.32 18.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -51.71 -56.06 15.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -56.47 -40.12 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -58.91 -57.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -60.18 -52.0 67.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.535 ' C ' HD22 ' A' ' 61' ' ' LEU . 4.5 m-85 -57.18 -37.71 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' SER . 40.2 ttm -71.84 -47.71 51.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -42.15 -50.98 4.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.09 -33.04 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -77.17 148.56 35.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -138.43 11.99 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -94.03 173.92 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -105.25 141.45 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.604 HG21 ' HD2' ' A' ' 103' ' ' PHE . 9.1 p -72.87 -33.59 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -29.19 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -32.56 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 33' ' ' LEU . 39.7 t -68.94 -36.57 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.97 -35.11 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.64 -29.97 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 30' ' ' VAL . 1.7 mt -80.93 -33.41 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -81.5 -13.65 57.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -87.39 -49.12 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 11.6 t70 -122.9 -34.0 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.565 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.45 165.64 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.32 -27.5 23.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 59' ' ' ILE . 37.6 mmt -56.57 -17.29 8.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.96 -2.31 33.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -64.42 -28.85 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -105.69 35.34 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.5 t -128.11 128.68 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -118.91 122.94 43.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.55 33.98 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 12.2 t0 77.23 1.72 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -106.48 137.55 44.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 96' ' ' LEU . 8.9 tt -113.88 153.19 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.73 -171.15 43.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.3 t80 -74.55 -56.3 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 4.9 tt0 -50.49 -47.2 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.01 -37.62 71.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.544 ' HE1' HG21 ' A' ' 99' ' ' VAL . 5.1 t80 -57.62 -28.04 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 3.5 mm-40 -59.92 -43.61 94.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' NE2' ' SD ' ' A' ' 39' ' ' MET . 10.7 tt0 -64.75 -32.32 73.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 22.5 t80 -60.51 -51.38 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.876 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -54.77 -22.23 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.4 tttt -67.92 -58.82 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.549 HD11 ' SD ' ' A' ' 39' ' ' MET . 1.2 mp -75.04 -48.2 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.749 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 3.1 t80 -47.4 -66.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD22 ' C ' ' A' ' 19' ' ' TYR . 7.0 mt -79.19 -7.77 58.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.9 tm-20 64.57 11.25 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.691 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -71.09 151.72 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 26.9 t70 -89.11 -8.26 54.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -169.91 116.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.876 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -100.42 147.24 33.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.665 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -75.0 143.37 28.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -32.77 69.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -55.58 -44.64 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.635 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.2 tp -69.32 -48.89 60.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -23.29 57.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.6 -48.82 24.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.492 ' HB3' ' CG ' ' A' ' 12' ' ' ASP . . . -72.42 -34.28 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.851 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.2 mt -55.09 -44.05 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' CE2' ' OE2' ' A' ' 79' ' ' GLU . 6.7 t80 -73.49 -47.56 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.29 -22.0 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.3 t -66.72 -68.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -120.24 151.76 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 75' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.464 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 19.4 m -128.4 156.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.3 151.77 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 97' ' ' ASN . 4.9 t -74.46 94.22 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 96' ' ' LEU . 1.3 pt? -48.58 -22.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 95' ' ' CYS . 12.6 t30 -66.77 -50.7 61.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.59 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 9.9 t70 -55.31 -29.88 59.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.544 HG21 ' HE1' ' A' ' 53' ' ' PHE . 24.3 t -74.25 -38.16 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -59.23 -26.37 64.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -77.14 -55.87 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.2 -40.45 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.749 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 m-30 -72.73 -37.7 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 t -59.66 -36.52 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.28 -44.71 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HB3' ' CE ' ' A' ' 20' ' ' MET . 4.2 mp -48.1 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -43.69 29.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.846 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 6.0 t70 -74.9 -41.95 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.49 -44.84 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.9 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.499 ' OE1' HD22 ' A' ' 70' ' ' LEU . 14.3 tm0? -50.89 -53.04 35.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.632 HD21 ' HE1' ' A' ' 103' ' ' PHE . 10.7 tp -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.16 -31.69 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -82.09 -46.26 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.981 ' CE2' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -68.02 -55.11 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 3.3 ppp? -53.05 -27.7 21.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -53.87 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -46.32 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 144.51 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.4 p -127.94 10.92 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -79.1 -179.42 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -105.11 143.33 33.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.78 -28.49 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -69.09 -23.38 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -41.37 66.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.731 HG21 ' HA ' ' A' ' 60' ' ' TYR . 76.1 t -75.13 -26.26 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.1 OUTLIER -64.49 -51.51 62.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.36 -31.68 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.0 mt -57.93 -41.84 83.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 39' ' ' MET . 18.4 m-85 -81.58 -12.94 58.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -86.78 -51.12 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.508 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.33 -34.14 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.19 170.7 0.69 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -60.17 -14.24 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 34' ' ' PHE . 79.4 mmm -79.34 5.12 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.53 -2.27 58.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -76.23 -20.66 57.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -116.03 47.44 1.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.59 130.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -102.63 85.51 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.93 -88.3 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.62 22.44 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.527 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -138.38 131.48 30.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.547 HD11 ' CA ' ' A' ' 52' ' ' GLY . 16.1 tt -113.85 151.64 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.0 -175.31 47.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -61.02 -57.14 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.36 -33.07 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.547 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . -77.61 -29.25 55.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -55.34 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -29.0 62.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -35.39 76.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.69 ' CE2' HG12 ' A' ' 30' ' ' VAL . 37.7 t80 -57.33 -46.42 83.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.803 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -55.83 -22.17 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 21.0 tttt -69.55 -59.6 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.42 -47.49 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.731 ' HA ' HG21 ' A' ' 30' ' ' VAL . 2.4 t80 -40.06 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.2 mp -79.29 -9.34 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 5.4 tt0 71.71 7.12 5.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.981 HG11 ' CE2' ' A' ' 19' ' ' TYR . 1.9 m -55.47 153.38 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 -9.49 40.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.01 115.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.689 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -98.39 149.07 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.689 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.97 128.28 11.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' LEU . 1.6 ptp180 -60.75 -25.54 66.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.44 -48.1 81.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.756 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.5 tp -75.01 -46.48 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -25.22 66.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ARG . 12.2 tp -73.56 -49.26 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.846 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.803 ' CD1' HD21 ' A' ' 57' ' ' LEU . 5.8 mt -60.78 -47.06 88.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -74.96 -41.0 60.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -40.22 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.6 p -62.57 -49.62 74.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 94' ' ' VAL . 24.6 m-85 -101.35 107.33 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.527 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 10.5 m -107.32 160.2 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 78' ' ' PHE . 9.2 p -136.91 162.38 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.429 ' N ' HG22 ' A' ' 94' ' ' VAL . 1.7 m -74.29 136.68 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.89 37.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -58.34 -39.09 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.22 -37.54 80.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 78' ' ' PHE . 39.6 t -74.4 -47.06 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' ' 31' ' ' LEU . 10.0 t -54.64 -21.54 10.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -72.3 -46.07 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 106' ' ' LEU . 2.6 t80 -56.93 -52.74 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.632 ' HE1' HD21 ' A' ' 16' ' ' LEU . 22.8 m-85 -65.22 -40.4 94.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.8 t -59.28 -40.16 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -37.15 74.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 102' ' ' TYR . 4.3 mp -54.54 -66.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.463 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -50.63 13.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.96 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.67 -38.39 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -35.93 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.6 44.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.1 tp60 -51.61 -55.8 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 16' ' ' LEU . 7.3 tp -56.49 -41.56 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -56.64 -58.72 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.634 ' HB3' HD22 ' A' ' 61' ' ' LEU . 9.9 m-85 -51.83 -44.22 63.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.736 ' SD ' HD23 ' A' ' 106' ' ' LEU . 79.0 mtp -62.27 -56.08 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -53.17 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -39.27 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.0 165.78 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -142.57 63.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 169.62 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.7 mmtp -105.14 146.43 29.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.63 -31.86 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -64.45 -36.27 83.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.8 -33.89 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.569 HG11 ' HA ' ' A' ' 60' ' ' TYR . 72.7 t -73.89 -44.19 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.839 HD22 HD22 ' A' ' 96' ' ' LEU . 37.0 mt -67.64 -21.44 65.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -26.19 66.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.622 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 1.2 mt -82.49 -27.58 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 31.5 m-85 -77.3 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 11.2 pt-20 -103.84 -45.45 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -114.29 -32.74 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.622 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -67.18 168.95 36.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.69 -25.64 67.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -55.98 -16.97 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -75.52 -2.48 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -68.02 -26.24 65.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.406 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 3.9 m-30 -111.92 44.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 47' ' ' ALA . 75.7 t -126.96 128.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.708 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 28.2 mt-30 -117.62 121.93 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.3 58.8 4.96 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.62 22.06 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 44' ' ' GLN . . . -124.93 168.22 13.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.552 HG22 ' HG ' ' A' ' 96' ' ' LEU . 3.9 tt -141.78 151.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.16 175.81 43.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -68.46 -30.44 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.4 -54.79 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -54.44 -31.23 51.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.833 ' CE2' HD11 ' A' ' 57' ' ' LEU . 75.2 t80 -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.24 -44.47 95.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.714 ' O ' HD12 ' A' ' 59' ' ' ILE . 9.3 pt20 -75.85 -22.56 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 25.4 t80 -68.27 -40.01 82.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.833 HD11 ' CE2' ' A' ' 53' ' ' PHE . 2.3 mt -61.91 -22.69 65.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 1.3 tttt -69.82 -60.03 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 55' ' ' GLN . 4.2 mp -70.96 -45.81 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CD2' ' CD1' ' A' ' 61' ' ' LEU . 2.5 t80 -39.98 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.5 mp -83.48 -3.15 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.491 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER 69.22 6.0 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.556 HG21 HG23 ' A' ' 66' ' ' VAL . 2.0 m -55.03 152.59 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.54 -9.25 44.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 116.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -98.64 147.4 33.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.631 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.01 134.53 17.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -35.12 80.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -53.33 -41.93 66.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.96 HD12 ' OD2' ' A' ' 12' ' ' ASP . 1.7 tp -74.07 -47.59 35.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -23.19 47.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 tp -74.96 -46.87 32.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.75 64.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.742 HD22 ' HZ ' ' A' ' 53' ' ' PHE . 4.9 mt -53.44 -56.82 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 50' ' ' TYR . 12.3 t80 -62.63 -42.15 99.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -52.75 -45.05 66.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.543 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 25.2 t -85.18 48.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 77' ' ' SER . 0.9 OUTLIER 176.91 109.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.71 160.18 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.41 152.96 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.9 m -75.14 135.29 41.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.839 HD22 HD22 ' A' ' 31' ' ' LEU . 1.2 mt -85.02 -43.24 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -61.9 -44.15 97.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.22 -44.15 88.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.42 -41.48 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.406 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 47.5 t -55.32 -22.64 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.93 -50.98 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.21 -49.82 73.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.485 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.3 m-85 -61.84 -33.45 74.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 t -65.17 -38.76 91.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.82 -32.33 61.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.736 HD23 ' SD ' ' A' ' 20' ' ' MET . 3.6 mp -47.66 -61.72 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -48.57 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.656 ' OD1' ' HB3' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -64.12 -42.63 96.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.94 -45.09 93.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -57.11 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.765 ' OE1' HD22 ' A' ' 70' ' ' LEU . 13.9 tm0? -51.2 -54.14 28.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.517 HD11 HD21 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -55.37 -48.43 74.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -59.9 -57.1 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -47.4 -55.36 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.825 ' HB3' HD22 ' A' ' 61' ' ' LEU . 2.0 m-85 -61.65 -48.53 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.617 ' HA ' HD23 ' A' ' 61' ' ' LEU . 52.9 ttm -56.9 -56.34 22.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.25 -53.43 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -35.82 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -78.75 165.27 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.3 p -137.08 10.91 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -84.32 -177.81 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -134.93 155.09 51.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.89 -32.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -69.38 -22.67 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -44.71 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 33' ' ' LEU . 71.9 t -73.87 -32.43 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -55.8 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -59.35 -22.26 61.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.578 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 16.8 mt -81.63 -28.13 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CE1' ' CD1' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -75.0 -10.99 60.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 15.1 pt-20 -103.62 -45.39 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -117.47 -33.33 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.578 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.52 -175.49 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.45 -16.42 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.589 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 17.5 mmt -74.78 -11.51 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.79 -2.63 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -75.24 -22.72 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.79 49.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.563 HG22 HD12 ' A' ' 48' ' ' ILE . 38.2 t -126.46 132.22 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -105.76 89.08 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.96 -95.27 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.39 13.5 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.551 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -131.64 139.76 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.701 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 10.3 tt -119.59 158.63 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.77 -170.89 40.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -65.98 -54.4 26.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -48.74 -33.93 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -81.14 -29.39 41.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -78.28 -38.68 42.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -36.04 69.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -73.67 -26.46 60.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HD1' HG11 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -61.59 -44.28 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.885 ' HB3' HG21 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -56.06 -21.44 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.2 tttp -64.27 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.685 ' H ' HD12 ' A' ' 59' ' ' ILE . 3.9 mp -70.4 -45.51 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 2.1 t80 -39.88 -69.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -87.46 -2.75 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 4.1 tt0 66.58 8.9 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.63 HG21 HG23 ' A' ' 66' ' ' VAL . 2.4 m -58.27 155.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.454 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 3.9 m-20 -89.79 -9.99 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -173.4 117.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.885 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -95.02 147.55 33.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.634 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -53.74 -42.78 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.765 HD22 ' OE1' ' A' ' 15' ' ' GLN . 3.5 tp -74.12 -44.11 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -56.65 -33.41 66.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 72' ' ' LEU . 4.7 tp -68.62 -48.36 64.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.656 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -70.2 -29.28 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.869 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.9 mt -62.72 -48.82 77.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CE2' ' OE1' ' A' ' 79' ' ' GLU . 8.5 t80 -66.19 -40.5 90.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.14 -26.79 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -71.58 -48.9 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -123.85 126.73 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 57.9 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 1.1 m -114.6 177.95 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.22 159.13 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.9 t -75.14 140.12 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.15 -57.11 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -48.98 -30.28 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.6 m-20 -67.3 -41.83 84.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.449 HG13 ' CE1' ' A' ' 103' ' ' PHE . 79.4 t -72.53 -43.06 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.2 t -58.49 -23.72 58.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.1 -54.4 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.29 -42.66 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.496 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 5.6 m-85 -67.4 -30.0 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.9 t -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.29 -52.64 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -61.77 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.98 -4.91 16.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -50.03 11.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -74.94 -31.04 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.8 -42.54 93.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.85 71.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.657 ' NE2' ' CE1' ' A' ' 19' ' ' TYR . 15.8 tm0? -50.62 -53.08 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 61' ' ' LEU . 5.6 tp -62.01 -35.68 79.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.63 -56.95 15.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -60.43 -27.95 67.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -77.35 -42.66 35.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.521 ' HG3' HD21 ' A' ' 61' ' ' LEU . 91.7 mtp -78.01 -44.08 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 13.4 pt-20 -44.59 -47.27 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -73.65 -29.57 62.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.64 150.43 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.0 p -131.81 10.84 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -75.34 -176.69 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 136.68 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.731 HG22 HD23 ' A' ' 31' ' ' LEU . 1.4 p -70.1 -22.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.03 -40.86 81.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -75.59 -35.53 60.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.878 HG21 ' HA ' ' A' ' 60' ' ' TYR . 73.9 t -71.51 -29.22 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.731 HD23 HG22 ' A' ' 27' ' ' VAL . 2.2 mm? -67.02 -62.58 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -18.64 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.1 mt -66.52 -45.92 77.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.591 ' CZ ' ' CD2' ' A' ' 56' ' ' PHE . 19.6 m-85 -83.09 -12.69 56.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.62 -60.15 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -134.64 24.13 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -102.95 -156.24 25.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -23.62 47.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.55 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 32.3 mmt -83.82 11.34 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.24 -2.52 56.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 2.2 ptpt -83.36 -20.42 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 4.6 m-30 -112.0 39.63 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.3 t -123.28 135.22 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -103.5 89.09 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.93 -99.78 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.43 9.33 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.707 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -132.26 141.45 49.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 4.3 tt -109.14 153.92 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.77 173.88 54.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -72.02 -30.33 65.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.72 -51.56 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -55.77 -28.94 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -66.27 -27.09 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -60.48 -56.3 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' NE2' ' SD ' ' A' ' 39' ' ' MET . 7.3 pt20 -56.92 -30.18 63.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 2.7 t80 -56.88 -53.4 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.819 HD11 HD13 ' A' ' 74' ' ' LEU . 11.0 mt -58.54 -22.28 55.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -58.64 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 2.3 mt -73.21 -48.48 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.878 ' HA ' HG21 ' A' ' 30' ' ' VAL . 24.7 t80 -48.07 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 19' ' ' TYR . 7.2 mt -70.65 -7.67 46.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.47 13.46 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.762 HG21 HG23 ' A' ' 66' ' ' VAL . 2.9 m -70.69 155.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -13.03 52.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.73 117.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.762 HG23 HG21 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -96.31 147.87 33.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.97 137.4 21.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -35.79 78.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -52.71 -46.96 67.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.59 ' HG ' HD12 ' A' ' 74' ' ' LEU . 3.7 tp -74.28 -40.43 62.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.5 m -56.58 -35.99 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.99 -49.14 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.35 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.819 HD13 HD11 ' A' ' 57' ' ' LEU . 5.4 mt -56.48 -43.85 80.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -72.14 -39.44 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -57.36 -20.96 32.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.5 p -48.6 -39.55 24.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.774 ' CD2' HG13 ' A' ' 94' ' ' VAL . 59.8 t80 -118.09 -70.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.707 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 22.2 m -128.9 168.33 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.774 HG13 ' CD2' ' A' ' 78' ' ' PHE . 84.4 t -142.41 152.2 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.35 135.6 40.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 108.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.58 -25.1 49.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -74.96 -39.14 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' OD2' ' CE1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -64.03 -42.24 97.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.592 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 58.5 t -67.0 -28.06 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.658 ' HB3' HD11 ' A' ' 31' ' ' LEU . 10.3 p -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.09 -43.36 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -56.18 -51.76 66.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.592 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 5.8 m-85 -63.32 -41.36 98.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.0 t -58.91 -31.58 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 105' ' ' LEU . 2.3 tm? -65.54 -42.1 92.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -44.97 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.98 -2.12 12.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -46.56 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 3.3 m-20 -74.97 -40.05 60.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.66 -46.06 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -59.21 -43.04 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.574 ' HG3' ' CD2' ' A' ' 19' ' ' TYR . 4.2 tp-100 -62.92 -50.38 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.794 HD11 HD21 ' A' ' 74' ' ' LEU . 5.6 mt -63.62 -43.23 97.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.51 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -42.44 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.851 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.7 m-85 -72.05 -53.51 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -60.62 -21.44 62.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -53.5 57.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -22.84 67.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 118.37 29.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -118.44 14.77 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -178.96 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -105.19 142.96 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.668 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 12.4 p -72.79 -27.14 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.8 p -68.19 -22.69 64.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -73.21 -47.92 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 59' ' ' ILE . 93.0 t -66.99 -30.29 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -59.37 -52.66 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -58.23 -29.83 66.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.3 mt -65.82 -33.16 75.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.537 ' CB ' HD21 ' A' ' 96' ' ' LEU . 4.9 m-85 -79.47 -10.68 59.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -104.51 -45.16 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 7.4 t0 -114.27 -34.64 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.563 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.86 -171.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.48 -30.77 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 tpp -64.23 -9.04 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.66 -2.37 29.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -20.14 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.07 24.87 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -108.03 130.96 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.67 130.12 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 54.17 23.89 26.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 4.3 t70 82.89 -5.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.76 155.55 16.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 11.7 pt -96.62 159.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -111.86 -171.22 18.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 13.5 t80 -55.7 -57.76 10.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 0.729 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -64.06 -39.72 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.43 -24.85 66.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -76.19 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 50' ' ' TYR . 2.2 pm0 -64.6 -28.72 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -62.99 -32.66 74.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.731 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 42.1 t80 -64.5 -47.13 80.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 74' ' ' LEU . 2.4 mp -54.5 -22.22 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -68.33 -59.2 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.585 HG22 HG22 ' A' ' 30' ' ' VAL . 77.7 mt -73.13 -48.03 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 14.7 t80 -44.16 -69.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -74.71 -25.74 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER 83.28 12.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.492 HG21 HG23 ' A' ' 66' ' ' VAL . 5.7 m -66.47 165.8 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -5.08 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.39 117.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.688 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -102.5 147.62 34.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.688 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.05 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ttm105 -51.82 -26.23 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -59.16 -43.26 92.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.7 tp -71.62 -45.18 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -27.01 54.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 72' ' ' LEU . 6.5 tp -72.42 -47.1 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -72.56 -36.66 68.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.831 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.3 mt -52.74 -47.51 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.598 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 3.3 t80 -58.99 -45.34 90.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -52.85 -31.88 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.566 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.7 t -57.45 -61.07 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 77' ' ' SER . 1.0 OUTLIER -127.88 143.28 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.598 ' OE1' ' CD2' ' A' ' 75' ' ' PHE . 2.1 tt0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 23.5 m -123.74 172.98 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.447 ' CG2' ' CE1' ' A' ' 75' ' ' PHE . 93.5 t -140.65 151.4 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.5 t -76.15 144.24 40.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.537 HD21 ' CB ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -70.74 -43.26 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.96 -35.68 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.73 -46.89 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' CD2' ' A' ' 103' ' ' PHE . 61.7 t -68.81 -29.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 31' ' ' LEU . 38.7 t -73.82 -27.46 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.05 -49.44 15.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -54.41 -56.67 16.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.776 ' CE1' ' CE2' ' A' ' 60' ' ' TYR . 12.2 m-85 -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.7 t -59.18 -31.35 68.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.48 -44.47 51.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -57.75 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.25 -51.16 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.632 ' OD2' HD12 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -75.72 -35.16 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 106' ' ' LEU . 0.7 OUTLIER -61.59 -34.29 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -52.27 46.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.5 tp60 -52.27 -55.82 18.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD13 HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -51.71 -43.67 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -58.13 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -50.92 45.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.809 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.7 m-85 -60.3 -42.5 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.7 ttm -65.13 -48.23 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.5 -53.14 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.85 -39.59 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -77.96 175.72 9.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 24' ' ' THR . 1.5 t -144.06 17.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -88.78 -176.82 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.67 143.32 47.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.6 -36.98 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -24.57 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -44.03 38.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.913 HG21 ' HA ' ' A' ' 60' ' ' TYR . 88.3 t -74.93 -26.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -52.2 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -27.5 64.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 13.2 mt -69.51 -39.31 77.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.751 ' CZ ' ' HE2' ' A' ' 39' ' ' MET . 2.5 m-85 -81.59 -13.08 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -86.46 -51.16 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.76 -33.8 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.99 162.83 3.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -50.91 -21.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.751 ' HE2' ' CZ ' ' A' ' 34' ' ' PHE . 88.4 mmm -71.18 -3.94 22.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.15 -2.56 52.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -74.91 -18.08 60.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.175 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -112.4 43.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -137.45 131.88 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -102.8 79.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.52 -100.12 1.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.8 15.27 15.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.716 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -132.24 139.45 48.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.695 HD11 ' HA3' ' A' ' 52' ' ' GLY . 7.6 tt -112.91 157.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -171.17 42.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.94 -47.0 66.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -49.55 -55.58 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.695 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -56.53 -24.81 48.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.637 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -78.33 -55.11 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 1.3 pp0? -70.41 -34.45 72.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.484 ' OE1' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.755 ' CZ ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -69.59 -39.03 77.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.047 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.61 -22.25 12.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.8 tptp -67.9 -59.46 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.665 ' H ' HD12 ' A' ' 59' ' ' ILE . 3.2 mp -73.57 -47.89 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.913 ' HA ' HG21 ' A' ' 30' ' ' VAL . 6.7 t80 -40.38 -73.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.809 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.2 mp -76.78 -16.82 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 2.3 tm-20 77.41 12.91 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.576 HG21 HG23 ' A' ' 66' ' ' VAL . 5.8 m -67.22 168.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 2.2 m-20 -115.65 -5.93 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -162.57 104.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.624 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -101.12 147.19 33.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.624 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.07 125.25 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.93 -30.21 65.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -58.01 -41.48 83.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.603 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.632 HD12 ' OD2' ' A' ' 12' ' ' ASP . 3.6 tp -74.47 -41.79 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 t -56.72 -51.81 67.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD13 HE21 ' A' ' 76' ' ' GLN . 0.2 OUTLIER -57.24 -49.5 75.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.44 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -62.89 -34.37 77.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.047 ' CD1' HD21 ' A' ' 57' ' ' LEU . 7.0 mt -66.09 -36.35 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.15 -54.09 12.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.479 HE21 HD13 ' A' ' 72' ' ' LEU . 52.0 mm-40 -52.91 -34.84 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -44.87 -50.83 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -112.3 165.3 12.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.716 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 8.2 m -117.92 173.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.15 153.98 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.99 138.35 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.36 -34.47 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -65.16 -31.58 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -49.77 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.609 HG12 ' CD2' ' A' ' 103' ' ' PHE . 95.4 t -65.46 -33.83 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -64.09 -25.12 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.54 -54.42 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.53 -53.94 47.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.609 ' CD2' HG12 ' A' ' 99' ' ' VAL . 2.8 m-85 -61.32 -34.8 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -59.71 -33.19 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -51.27 35.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 1.3 mp -52.61 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.5 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -97.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.23 -42.9 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.28 -36.57 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' HB2' ' CA ' ' A' ' 9' ' ' SER . 12.7 t80 -77.54 -38.79 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.7 -48.15 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -51.48 -54.15 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.056 HD11 HD21 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -55.42 -54.73 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -54.97 -52.74 62.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 18.9 tttt -58.18 -52.17 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.783 ' HB3' HD22 ' A' ' 61' ' ' LEU . 1.7 m-85 -48.43 -31.22 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' SER . 2.3 tpp -77.52 -29.32 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -45.18 -35.12 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -89.46 -23.41 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -75.42 116.08 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.8 p -107.9 11.17 28.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.83 170.72 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -104.79 146.16 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.82 -29.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -65.22 -28.06 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -72.56 -44.45 62.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 59' ' ' ILE . 80.0 t -68.7 -24.86 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.1 OUTLIER -60.46 -52.04 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.232 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.83 -33.97 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.7 mt -57.58 -44.04 85.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.496 ' CE1' ' HE2' ' A' ' 39' ' ' MET . 13.9 m-85 -81.8 -13.82 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.9 mm-40 -84.41 -57.8 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.1 -32.38 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -57.65 156.68 16.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -25.18 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.496 ' HE2' ' CE1' ' A' ' 34' ' ' PHE . 68.6 mmm -63.4 -11.23 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -80.67 -2.59 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -9.81 48.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CD2' ' OE1' ' A' ' 55' ' ' GLN . 36.1 m-85 -123.5 41.47 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.6 t -131.36 127.74 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -121.75 134.48 54.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.71 34.28 36.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.21 18.52 6.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -125.06 164.11 20.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 4.6 tt -131.85 151.54 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.7 175.06 33.8 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -57.36 -46.9 82.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -52.6 -53.14 50.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.0 -27.95 47.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -26.96 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.34 -61.11 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.582 ' OE1' ' CD2' ' A' ' 42' ' ' TYR . 10.3 pt20 -60.93 -28.59 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 8.6 t80 -56.75 -53.11 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.834 ' HB3' HG21 ' A' ' 66' ' ' VAL . 11.5 mt -54.64 -22.22 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -57.83 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.631 HG22 HG22 ' A' ' 30' ' ' VAL . 13.0 mt -76.35 -47.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 3.5 t80 -49.13 -62.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.025 HD11 HD23 ' A' ' 16' ' ' LEU . 11.3 mt -86.37 11.44 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 39.26 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.689 HG21 HG23 ' A' ' 66' ' ' VAL . 2.7 m -86.41 153.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.453 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 14.8 p-10 -85.06 -10.67 56.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -174.93 117.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -99.37 147.29 33.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.681 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -75.0 132.28 15.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.39 -36.22 83.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -53.2 -41.41 65.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.634 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.8 tp -75.01 -44.61 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 m -56.67 -23.82 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.25 -48.43 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.22 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 16' ' ' LEU . 4.0 mt -53.06 -45.02 67.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.81 -48.81 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.66 -27.6 64.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -45.82 -28.84 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -146.96 -67.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 7.0 m -132.81 151.39 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.36 153.55 34.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.11 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -32.8 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.0 -38.05 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.89 -42.19 85.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.617 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 10.3 t -67.3 -28.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.669 ' HB2' HD11 ' A' ' 31' ' ' LEU . 15.6 t -67.21 -31.38 71.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -38.95 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 108.254 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.88 -56.9 13.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.617 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 9.3 m-85 -62.45 -27.2 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 t -60.03 -30.15 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.642 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -74.91 -36.89 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.353 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.33 -62.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.04 -2.69 12.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -79.73 -46.19 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.74 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.68 -37.14 67.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.83 81.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.586 ' CD ' ' CE2' ' A' ' 19' ' ' TYR . 3.1 tp-100 -71.34 -51.99 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.568 ' CD2' HD21 ' A' ' 61' ' ' LEU . 1.4 mt -51.6 -41.83 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.84 -56.34 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -48.91 -46.18 42.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.68 ' HB3' HD22 ' A' ' 61' ' ' LEU . 5.5 m-85 -63.82 -42.36 97.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.447 ' HE1' ' HB3' ' A' ' 106' ' ' LEU . 38.6 ttm -68.43 -40.56 81.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.39 -48.06 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.17 -41.97 94.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.82 159.12 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 24' ' ' THR . 1.3 t -147.41 18.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.12 -178.87 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 30' ' ' VAL . 12.3 mttm -104.6 146.43 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.35 -35.17 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -72.88 -27.14 61.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -75.5 -40.43 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.628 HG11 ' N ' ' A' ' 60' ' ' TYR . 98.6 t -73.2 -34.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 33.3 mt -70.43 -27.69 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -17.47 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -78.85 -39.7 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 39' ' ' MET . 3.4 m-85 -81.55 -14.46 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.97 -57.84 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.71 -32.34 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -55.69 164.66 4.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -54.14 -25.7 23.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 63.9 mmm -61.99 -13.08 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.27 -2.56 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -13.15 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -111.67 2.42 17.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 47' ' ' ALA . 2.2 t -94.41 140.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -108.99 80.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.18 -95.12 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.64 -8.05 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -105.19 174.09 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.813 ' HB ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -145.25 155.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' N ' HD13 ' A' ' 48' ' ' ILE . . . -75.03 176.84 49.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -81.2 -52.0 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -43.98 79.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.76 -39.48 67.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.641 ' HZ ' HG21 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -55.53 -27.67 50.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.7 -33.1 74.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.48 -37.92 68.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.451 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t80 -57.38 -46.16 83.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.797 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.1 mt -58.91 -22.12 58.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.462 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -70.04 -59.63 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.454 ' CG2' HG13 ' A' ' 30' ' ' VAL . 30.9 mt -72.03 -46.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.628 ' N ' HG11 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -39.51 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -82.21 -4.9 57.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.462 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 69.68 6.32 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.66 HG21 HG23 ' A' ' 66' ' ' VAL . 1.7 m -54.64 143.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.72 -11.03 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.14 116.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.797 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -91.81 147.5 35.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.653 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.93 133.05 16.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -62.37 -34.91 77.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -53.22 -45.51 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HD12 ' A' ' 74' ' ' LEU . 3.9 tp -72.64 -37.66 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -39.58 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' HG ' ' NE2' ' A' ' 76' ' ' GLN . 7.0 tp -68.73 -49.23 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.29 69.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' A' ' 57' ' ' LEU . 8.8 mt -73.02 -37.23 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -72.69 -55.12 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.402 ' NE2' ' HG ' ' A' ' 72' ' ' LEU . 3.2 pt20 -57.57 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.5 t -47.6 -54.84 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 94' ' ' VAL . 2.4 p90 -126.34 137.65 53.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.468 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -139.11 159.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 78' ' ' PHE . 59.8 t -150.85 146.48 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.1 t -75.88 120.08 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.813 HD12 ' HB ' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -75.2 -15.18 60.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.582 ' N ' HD22 ' A' ' 96' ' ' LEU . 5.1 t-20 -76.79 -47.44 21.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.49 -31.83 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 95' ' ' CYS . 22.1 t -73.87 -32.43 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 21.3 t -62.04 -22.9 66.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.08 -55.09 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -53.74 -50.05 66.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.652 ' CE2' HG12 ' A' ' 99' ' ' VAL . 5.3 m-85 -61.54 -37.87 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -58.97 -30.18 67.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -42.61 57.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.447 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 0.3 OUTLIER -49.51 -59.02 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.516 0.198 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.44 73.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 11.6 tptt -103.92 -130.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.59 ' HG3' HD11 ' A' ' 7' ' ' LEU . 9.8 tt0 79.37 149.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.02 35.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.56 102.47 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.59 HD11 ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -139.16 -172.18 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.1 pt -40.43 119.97 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.531 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -50.15 179.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.639 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.04 -1.64 11.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -79.47 -47.74 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.627 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -74.33 -41.71 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 2.0 t80 -65.94 -33.33 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -66.82 -51.22 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.574 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -54.17 -56.24 20.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.647 ' CD1' HD21 ' A' ' 70' ' ' LEU . 1.1 mp -61.98 -40.45 95.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 4.8 tt0 -61.28 -61.04 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -56.93 -29.62 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -68.55 -54.14 18.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.532 ' HE1' ' HB3' ' A' ' 106' ' ' LEU . 4.0 ptp -72.68 -24.19 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 20' ' ' MET . 0.7 OUTLIER -51.81 -48.46 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -27.37 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -80.07 159.74 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 p -134.03 10.82 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -70.72 -177.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -135.31 142.56 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.34 -34.0 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 p -67.43 -22.92 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.1 -46.92 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.85 -29.97 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -54.7 40.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -34.66 71.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 4.3 mt -56.31 -43.7 79.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 21.7 m-85 -80.92 -13.27 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.71 -57.45 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -116.21 -32.71 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.19 -174.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -28.32 64.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.798 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.539 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -63.11 -11.37 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.9 -2.39 36.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -75.29 -17.32 60.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -121.4 37.59 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.2 t -122.47 135.68 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -104.29 81.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.09 -103.14 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -117.87 17.47 14.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.531 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -138.42 144.16 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.5 tt -119.05 151.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.53 -176.85 47.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -73.66 -52.98 11.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.9 -53.02 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.85 -30.81 53.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HZ ' HG11 ' A' ' 99' ' ' VAL . 2.1 t80 -64.85 -28.05 69.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.73 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -32.39 67.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 6.8 t80 -57.54 -52.59 64.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.926 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.5 mt -62.63 -23.64 67.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -59.55 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 51.2 mt -70.49 -46.8 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 1.3 t80 -44.23 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -83.68 7.58 17.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 61' ' ' LEU . 6.8 pt-20 47.43 24.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.583 HG21 HG23 ' A' ' 66' ' ' VAL . 10.9 m -76.93 162.49 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -97.35 -6.0 35.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.36 116.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.926 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -96.17 148.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.654 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.02 134.99 18.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.9 mtm-85 -67.05 -25.23 66.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.647 HD21 ' CD1' ' A' ' 16' ' ' LEU . 3.9 tp -69.1 -41.43 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -32.94 65.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -47.61 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.627 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -71.97 -20.13 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.893 ' CD1' HD21 ' A' ' 57' ' ' LEU . 8.1 mt -70.56 -50.62 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 1.5 t80 -66.05 -41.7 90.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -54.88 -36.66 65.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -52.67 -53.57 45.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.13 133.3 35.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.725 ' C ' HG22 ' A' ' 80' ' ' THR . 0.9 OUTLIER -144.49 -166.55 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.725 HG22 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER 167.96 134.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.65 81.17 0.51 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -148.96 172.22 15.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.566 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.8 t -170.03 138.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.342 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.06 42.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.72 45.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.58 127.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -107.26 47.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -135.74 87.88 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.633 ' O ' HG12 ' A' ' 89' ' ' VAL . 64.7 t -101.13 38.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 91' ' ' LYS . 8.4 t -81.49 161.14 23.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.509 ' HG2' HG23 ' A' ' 90' ' ' THR . 8.2 ptmt 36.4 80.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -92.12 121.86 34.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.531 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 27.4 m -108.34 161.75 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.499 ' HA ' HG23 ' A' ' 80' ' ' THR . 1.6 p -138.19 148.87 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.7 t -75.05 136.28 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -39.37 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -58.56 -32.43 68.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.08 -45.99 65.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.505 HG11 ' HZ ' ' A' ' 53' ' ' PHE . 78.5 t -70.44 -35.26 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.6 -26.74 68.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.2 t -77.14 -53.98 7.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -55.26 -44.9 76.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.12 -32.14 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -58.76 -26.05 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -44.57 68.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.532 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 0.2 OUTLIER -50.02 -66.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -54.51 -36.68 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -175.59 -82.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 156.36 106.36 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -112.59 96.21 35.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.65 15.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.64 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 177.05 115.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 151.07 25.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.33 176.05 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.48 129.51 14.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -106.53 71.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.519 0.2 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.43 53.8 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.17 -130.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.27 144.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.79 91.03 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.71 136.15 9.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.488 ' N ' HD22 ' A' ' 7' ' ' LEU . 2.3 mm? -90.9 86.54 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.892 HG22 ' HB1' ' A' ' 73' ' ' ALA . 10.6 pt -106.03 117.43 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.67 179.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.04 -0.16 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -48.47 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.943 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.06 -33.93 63.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.81 -44.12 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -59.5 -52.64 64.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.2 tp60 -50.51 -53.57 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 70' ' ' LEU . 1.4 tp -62.51 -49.84 73.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 20' ' ' MET . 7.9 tt0 -59.44 -18.77 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -82.57 -54.97 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.479 ' CE2' ' HG3' ' A' ' 15' ' ' GLN . 24.6 m-85 -69.72 -44.14 70.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 17' ' ' GLN . 3.1 ppp? -68.69 -19.33 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 9.2 pt-20 -40.28 -47.26 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -85.06 -47.6 10.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.977 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 44.7 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 t -102.09 15.65 28.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -138.21 168.66 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.8 mmtm -105.39 139.56 39.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.23 -26.47 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.2 m -81.87 -34.9 29.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.11 -34.62 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.768 ' HA ' HD12 ' A' ' 33' ' ' LEU . 22.8 t -67.77 -45.18 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 100' ' ' SER . 32.2 mt -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -20.89 57.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 30' ' ' VAL . 2.2 mt -80.73 -32.42 35.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 16.6 m-85 -81.41 -14.16 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.38 -57.77 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.24 -32.18 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.77 170.09 3.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.05 -29.51 63.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.781 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.454 ' SD ' HD11 ' A' ' 59' ' ' ILE . 36.8 mmt -58.32 -15.16 9.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -78.93 -2.39 39.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HE3' ' CE2' ' A' ' 42' ' ' TYR . 1.6 pttt -67.12 -31.26 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CE2' ' HE3' ' A' ' 41' ' ' LYS . 23.1 m-85 -108.11 33.95 3.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -117.84 130.97 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -101.81 81.09 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.4 -94.12 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -130.05 18.67 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 94' ' ' VAL . . . -138.71 138.8 38.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.6 tt -116.02 157.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.18 -179.92 52.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' CD2' ' N ' ' A' ' 51' ' ' GLU . 2.9 t80 -69.0 -57.0 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' N ' ' CD2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -50.86 -44.93 59.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.267 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.83 -39.99 70.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.613 ' HZ ' HG11 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -54.94 -27.69 45.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.013 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.62 -32.09 73.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -75.12 -29.94 60.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 49.4 t80 -68.76 -48.08 64.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.86 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.3 mt -59.58 -21.81 60.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 3.2 tttt -69.65 -59.48 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.454 HD11 ' SD ' ' A' ' 39' ' ' MET . 11.5 mt -73.84 -47.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.636 ' HA ' HG21 ' A' ' 30' ' ' VAL . 3.5 t80 -40.38 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.443 HD11 HD23 ' A' ' 57' ' ' LEU . 1.9 mp -75.32 -21.32 58.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER 82.28 10.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.646 HG21 HG23 ' A' ' 66' ' ' VAL . 4.3 m -65.09 157.68 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.66 -7.86 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -175.2 117.46 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -95.31 147.54 33.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.4 Cg_endo -74.98 137.94 22.43 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -66.74 -33.35 75.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -53.81 -47.08 71.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.943 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.3 tp -71.81 -46.7 57.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -23.67 62.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ARG . 9.8 tp -74.65 -49.2 22.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.892 ' HB1' HG22 ' A' ' 8' ' ' ILE . . . -71.58 -31.19 66.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.74 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.0 mt -58.77 -50.99 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 79' ' ' GLU . 19.8 t80 -71.9 -43.16 65.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.98 -31.06 38.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.7 m -55.57 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.27 142.02 48.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 75' ' ' PHE . 13.8 pt-20 -177.97 41.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLU . 17.4 p 52.13 105.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.77 101.8 0.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.62 94.6 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.552 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.741 ' C ' HD22 ' A' ' 84' ' ' LEU . 2.7 t -165.5 135.2 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.264 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 83' ' ' CYS . 3.2 mm? -122.56 42.05 3.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.2 108.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.7 133.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -80.15 55.24 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -145.94 54.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -109.09 74.93 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.6 t -127.69 2.33 6.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.35 103.01 4.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.59 165.05 37.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.8 m -136.54 174.19 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' ALA . 6.2 p -145.01 153.57 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.808 ' O ' HG23 ' A' ' 99' ' ' VAL . 1.7 m -75.04 137.46 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mt -85.12 -57.95 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -49.26 -39.04 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -36.92 85.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 95' ' ' CYS . 82.6 t -74.81 -34.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.411 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 2.4 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -76.56 -48.99 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.445 ' CE1' HD13 ' A' ' 106' ' ' LEU . 1.8 t80 -53.07 -46.05 68.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.593 ' CD1' ' OH ' ' A' ' 60' ' ' TYR . 28.2 m-85 -67.65 -32.9 73.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.3 t -59.07 -41.13 87.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -37.59 67.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -52.59 -62.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.11 -31.42 71.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -49.42 -51.88 25.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.13 64.91 0.41 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.32 149.74 38.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.2 42.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -22.84 60.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.4 t0 177.87 113.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 177.39 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 mp -50.23 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.62 129.09 13.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -108.29 73.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 2' ' ' ALA . 10.0 ttp . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.474 0.178 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 40.12 36.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -174.54 -121.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 171.29 148.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.52 46.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.68 -75.97 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' CG1' ' A' ' 8' ' ' ILE . 22.0 mt 63.16 40.62 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.883 HD12 ' HB3' ' A' ' 12' ' ' ASP . 2.5 pt 40.7 45.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER 53.38 171.3 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.729 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.23 -50.6 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.883 ' HB3' HD12 ' A' ' 8' ' ' ILE . 4.9 m-20 -75.7 -48.8 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.55 -32.56 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -63.39 -57.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -54.37 -56.35 19.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.847 HD23 HD11 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -50.65 -54.16 25.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.75 -59.32 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -49.9 -57.52 7.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.782 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.4 m-30 -54.42 -40.08 67.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 ttm -67.32 -45.46 76.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -53.19 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.79 -29.48 64.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.64 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -146.48 18.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -98.05 169.35 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -105.17 142.78 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.85 -28.65 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 p -65.85 -22.71 66.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -42.19 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.0 HG22 HG22 ' A' ' 59' ' ' ILE . 98.3 t -73.24 -32.71 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -53.88 50.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -33.28 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.4 mt -63.8 -36.77 85.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 6.1 m-85 -80.98 -13.59 58.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.95 -57.55 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -116.0 -32.46 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.62 -174.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.137 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.13 -34.52 77.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.569 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 34.1 mmt -57.53 -15.47 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.5 -2.7 30.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -30.23 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -113.61 38.04 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 t -123.38 139.77 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -101.91 100.35 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.83 -102.58 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.97 17.28 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -133.13 134.93 44.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -116.54 148.69 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -88.34 -179.2 46.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -69.86 -27.42 64.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 0.794 . . . . 0.0 110.951 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -47.11 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' HD11 ' A' ' 48' ' ' ILE . . . -60.87 -34.12 86.01 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.117 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.637 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -61.57 -28.31 69.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -55.15 -47.0 75.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -28.63 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.513 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 18.1 t80 -57.72 -48.87 78.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.931 ' HB3' HG21 ' A' ' 66' ' ' VAL . 4.5 mt -55.72 -22.0 21.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -69.37 -59.98 2.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.0 HG22 HG22 ' A' ' 30' ' ' VAL . 34.9 mt -72.11 -43.49 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.786 ' HE2' HD11 ' A' ' 16' ' ' LEU . 1.5 t80 -39.73 -72.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -87.21 -1.1 57.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.0 OUTLIER 67.52 7.98 5.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -54.57 162.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.13 -9.79 23.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.86 116.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.931 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -100.83 147.82 34.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.4 Cg_endo -75.03 128.41 11.44 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.788 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -32.38 71.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -53.43 -46.31 69.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.847 HD11 HD23 ' A' ' 16' ' ' LEU . 2.5 tp -72.14 -46.19 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -26.01 55.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.93 -49.05 26.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.73 -31.81 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.845 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.2 mt -54.85 -44.72 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -72.67 -39.06 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -66.94 -26.1 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -62.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -175.18 157.87 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -49.32 -22.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' HIS . . . 98.58 -51.65 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' GLY . 55.6 m80 -40.01 129.3 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -176.24 158.29 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.519 ' N ' HD22 ' A' ' 84' ' ' LEU . 2.6 mm? 67.19 102.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.02 101.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.65 133.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 87' ' ' THR . 1.1 t -100.88 17.7 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -125.85 48.13 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.615 ' O ' HG12 ' A' ' 89' ' ' VAL . 59.5 t -118.46 38.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 t -102.5 -9.66 20.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.604 ' HD3' HG22 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -121.42 101.64 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -90.38 90.42 8.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.604 HG22 ' HD3' ' A' ' 91' ' ' LYS . 19.2 m -143.51 171.86 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.2 155.11 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.643 ' O ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -75.04 138.67 42.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.38 -32.7 64.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -65.84 -32.75 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.27 -39.65 62.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 95' ' ' CYS . 45.7 t -74.77 -29.56 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -65.8 -22.39 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.17 -54.98 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 108.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -54.05 -45.15 71.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.534 ' CD2' HG12 ' A' ' 99' ' ' VAL . 2.5 m-85 -66.73 -30.5 70.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' GLY . 31.6 t -63.8 -26.45 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -35.88 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -62.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 108' ' ' GLY . 11.2 pt-20 -51.84 -38.53 56.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 107' ' ' GLU . . . 125.44 67.16 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 104' ' ' SER . . . -135.81 61.16 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -60.72 149.24 80.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.45 43.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -25.58 33.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 t0 175.62 110.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -82.92 163.3 21.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.96 176.66 5.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -146.06 128.6 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -106.94 72.69 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.6 mtm . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.512 0.196 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.43 47.11 1.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -76.97 -124.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 68.32 142.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -144.85 48.63 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.06 110.22 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.1 mm? -73.7 155.84 38.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 12' ' ' ASP . 15.2 pt -89.76 13.63 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.7 172.51 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -50.17 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.814 ' HB3' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -75.47 -41.42 55.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.62 -34.68 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -56.92 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.6 tp60 -51.71 -56.22 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.671 HD13 HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -52.75 -42.74 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -58.08 -58.17 9.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -53.53 -57.92 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.896 ' HB3' HD22 ' A' ' 61' ' ' LEU . 8.9 m-85 -53.66 -41.27 66.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.6 ttm -69.5 -40.15 77.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -50.75 -34.52 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -41.07 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.88 143.24 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.5 p -135.86 11.26 3.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -81.4 -178.88 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.9 mmtt -105.08 143.15 33.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.87 -26.51 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -34.8 73.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -76.07 -30.59 58.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 60' ' ' TYR . 67.4 t -71.93 -37.0 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 96' ' ' LEU . 16.6 mt -70.9 -30.84 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -25.33 63.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 10.1 mt -73.88 -32.76 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 37.8 m-85 -81.39 -14.67 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.7 pt-20 -83.28 -47.52 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -129.44 -34.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -49.82 -178.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -36.29 77.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.66 ' SD ' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -58.65 -14.32 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . -74.63 -2.65 27.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -77.24 -21.65 53.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -122.45 51.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.573 HG22 HD12 ' A' ' 48' ' ' ILE . 74.7 t -133.35 131.64 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -104.36 81.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.368 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.28 -98.15 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.47 11.4 9.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -128.36 134.63 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.67 HD11 ' HA3' ' A' ' 52' ' ' GLY . 19.8 tt -117.19 156.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -172.7 42.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CE2' ' NH1' ' A' ' 68' ' ' ARG . 7.9 t80 -62.76 -52.07 64.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.62 -39.38 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.67 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -81.04 -38.84 14.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' HE1' HG11 ' A' ' 99' ' ' VAL . 33.5 t80 -65.41 -40.51 93.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.769 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -28.96 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.763 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 5.4 t80 -57.16 -45.25 83.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.917 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.1 mp -54.73 -22.35 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 45.5 tttt -68.62 -59.16 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.66 HD11 ' SD ' ' A' ' 39' ' ' MET . 44.2 mt -73.03 -47.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.763 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 2.3 t80 -40.25 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.896 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -85.8 -10.73 54.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.8 mt-10 73.75 2.99 4.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.62 HG21 HG23 ' A' ' 66' ' ' VAL . 1.5 m -50.74 152.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.17 -10.71 54.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.04 117.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.917 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -95.22 147.34 32.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -74.98 130.55 13.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.751 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' NH1' ' CE2' ' A' ' 50' ' ' TYR . 1.8 ttt-85 -62.34 -32.06 72.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -54.71 -44.74 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.58 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.686 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.5 tp -68.02 -46.55 70.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -27.04 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 tp -72.02 -49.1 39.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.764 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -70.88 -31.48 68.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' A' ' 57' ' ' LEU . 7.0 mt -61.31 -40.9 95.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -74.16 -42.03 60.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.5 t -52.0 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -89.3 169.23 11.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -177.21 146.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.625 HG23 ' N ' ' A' ' 81' ' ' GLY . 8.9 t -131.27 -138.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.625 ' N ' HG23 ' A' ' 80' ' ' THR . . . 58.4 109.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -60.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 73.11 27.32 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 108.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' HA ' HD13 ' A' ' 84' ' ' LEU . 2.6 mm? -121.94 40.97 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -165.15 101.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 70.37 135.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 87' ' ' THR . 53.8 m -83.08 49.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -128.9 89.02 2.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.24 39.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.4 t -65.09 -10.61 31.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -107.92 85.02 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.19 116.99 27.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.593 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 6.2 m -144.38 171.19 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 p -148.68 154.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.814 ' O ' HG23 ' A' ' 99' ' ' VAL . 51.4 m -74.96 134.93 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 48' ' ' ILE . 1.2 mt -82.0 -48.33 11.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -52.41 -39.44 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.17 -38.68 88.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 95' ' ' CYS . 92.9 t -72.55 -37.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.9 t -71.45 -47.0 58.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -55.85 -48.84 74.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.704 ' CE2' HG12 ' A' ' 99' ' ' VAL . 14.6 m-85 -65.46 -37.15 86.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 t -59.02 -37.36 76.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -72.81 -35.21 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -66.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.83 -33.52 75.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.45 -3.87 86.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . -132.73 38.68 1.84 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -64.16 118.2 44.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 153.76 41.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -118.73 -36.57 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.26 69.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 115' ' ' LEU . 12.8 mtmt -67.27 165.01 17.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -37.38 153.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -138.46 121.06 16.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -107.96 72.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.538 0.209 . . . . 0.0 110.975 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.17 34.5 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -172.94 -124.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 163.77 154.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.457 ' H ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER 65.26 133.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.69 16.41 52.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.54 HD22 ' H ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -75.75 -178.72 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.996 HD11 ' OH ' ' A' ' 102' ' ' TYR . 4.0 pt -73.31 120.82 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.528 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -51.71 179.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.01 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -51.3 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.882 ' OD1' HD12 ' A' ' 70' ' ' LEU . 21.6 t70 -75.47 -34.97 60.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.14 -45.11 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -54.71 -40.61 69.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.642 ' NE2' ' CD1' ' A' ' 19' ' ' TYR . 3.6 tp60 -70.76 -49.7 43.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.812 HD12 HD11 ' A' ' 61' ' ' LEU . 5.4 tp -59.59 -43.37 93.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.54 -44.77 89.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -62.3 -43.27 99.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.642 ' CD1' ' NE2' ' A' ' 15' ' ' GLN . 2.2 m-85 -71.97 -55.32 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.28 -20.81 57.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 1.2 mm-40 -65.57 -46.04 80.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.61 -42.34 96.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 169.9 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 24' ' ' THR . 0.9 OUTLIER -155.01 23.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -78.48 179.03 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -105.25 135.81 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.28 -24.1 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -22.7 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.38 -45.73 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 60' ' ' TYR . 70.8 t -72.26 -31.89 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -58.25 -54.69 44.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 7.2 pttp -58.47 -31.55 67.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.506 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 5.2 mt -60.52 -42.67 96.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 39' ' ' MET . 14.1 m-85 -81.33 -13.72 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.47 -57.55 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.75 -32.45 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.02 -170.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.06 -32.75 63.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.572 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 29.6 mmt -56.24 -16.54 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -75.38 -2.77 30.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.53 -13.13 62.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -128.23 49.52 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 48' ' ' ILE . 69.1 t -139.98 129.16 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.62 116.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 60.62 30.82 73.1 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.593 ' O ' HD12 ' A' ' 96' ' ' LEU . 3.9 t70 82.52 -4.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 93' ' ' VAL . . . -100.3 134.84 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.44 ' HB ' HG22 ' A' ' 43' ' ' VAL . 9.9 tt -107.8 156.05 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.81 -174.24 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CD1' ' CG ' ' A' ' 75' ' ' PHE . 4.4 t80 -80.79 -34.03 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -44.88 67.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.45 -40.24 68.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.67 -26.59 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.01 -43.69 82.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.235 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.516 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.5 pt20 -74.25 -22.93 59.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.241 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.475 ' CE1' ' CG ' ' A' ' 60' ' ' TYR . 19.9 t80 -68.28 -48.57 64.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.677 HD11 HD13 ' A' ' 74' ' ' LEU . 3.8 mt -54.88 -23.43 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -66.57 -59.55 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.686 ' H ' HD12 ' A' ' 59' ' ' ILE . 5.0 mp -72.61 -48.15 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 6.5 t80 -49.03 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.812 HD11 HD12 ' A' ' 16' ' ' LEU . 8.2 mt -71.0 -7.42 46.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.7 OUTLIER 66.01 9.9 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.656 HG21 HG23 ' A' ' 66' ' ' VAL . 1.8 m -71.48 149.54 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -91.14 -13.91 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -163.26 103.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.768 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -93.74 147.88 34.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 133.7 16.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 69' ' ' HIS . 4.5 ptt180 -63.35 -26.8 68.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.42 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 3.5 t-160 -59.04 -45.78 89.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.594 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.882 HD12 ' OD1' ' A' ' 12' ' ' ASP . 3.0 tp -72.01 -43.54 64.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t -56.82 -41.44 77.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.38 -49.27 77.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -67.62 -30.33 69.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.757 HD12 ' HG ' ' A' ' 70' ' ' LEU . 6.4 mt -67.41 -44.7 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.602 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 29.5 t80 -75.0 -53.87 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.63 -20.89 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 8.4 t -44.96 -50.75 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 1' ' ' MET . 2.9 m-85 -152.07 -175.29 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.669 ' C ' HG22 ' A' ' 80' ' ' THR . 16.9 tt0 -171.22 168.8 6.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.669 HG22 ' C ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER 173.19 132.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -139.71 -146.77 4.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -151.26 60.43 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 109.605 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.492 ' O ' HD22 ' A' ' 84' ' ' LEU . 11.8 t -160.27 134.28 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 108.273 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD22 ' O ' ' A' ' 83' ' ' CYS . 3.6 mm? -125.84 42.5 3.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -150.27 165.05 34.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 77.27 130.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -83.06 6.94 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.386 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -107.5 72.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 89' ' ' VAL . 20.9 t -100.91 38.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 t -88.88 -6.07 57.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.372 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.17 104.97 8.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -141.68 -177.48 5.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.47 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 17.1 m -119.74 175.3 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 48' ' ' ILE . 87.1 t -133.78 150.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.9 t -75.69 137.74 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -85.13 -50.99 6.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -52.85 -39.88 62.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.84 -54.52 46.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.645 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 68.4 t -61.77 -38.0 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 31' ' ' LEU . 35.4 t -61.55 -23.24 65.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -41.48 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.996 ' OH ' HD11 ' A' ' 8' ' ' ILE . 44.4 t80 -64.16 -55.79 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.645 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 13.3 m-85 -58.61 -25.89 63.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.1 t -61.8 -40.74 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -30.39 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 ' CZ ' ' A' ' 102' ' ' TYR . 1.1 mp -58.42 -64.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -37.41 84.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.19 -67.23 2.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.65 85.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.73 99.96 40.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.38 2.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 179.75 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 51.7 t0 45.2 35.68 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 165.41 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.15 177.53 7.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.87 129.13 13.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 m0 -92.36 -114.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mmm . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.5 0.191 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.09 63.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -83.94 -126.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -155.04 -156.66 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 68.55 120.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.42 106.81 2.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mp -142.28 135.94 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.589 HD13 ' OH ' ' A' ' 102' ' ' TYR . 10.6 pt -117.94 123.73 72.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.537 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -49.81 -179.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.625 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -48.52 14.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -37.78 60.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.91 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -57.61 -57.33 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' HD22 ' A' ' 70' ' ' LEU . 14.6 tm0? -54.99 -55.58 29.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.837 HD11 HD21 ' A' ' 74' ' ' LEU . 4.3 mt -54.65 -41.85 70.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.86 -60.35 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -51.43 -59.01 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.76 ' HB3' HD22 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -51.41 -53.65 34.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.667 ' SD ' HD23 ' A' ' 106' ' ' LEU . 91.9 mtp -57.41 -47.71 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -44.85 -37.59 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.335 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -36.98 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.18 158.61 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -137.39 14.25 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.15 -175.4 3.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.1 mttt -134.76 141.65 46.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.656 HG23 ' CE1' ' A' ' 56' ' ' PHE . 13.1 p -71.48 -31.25 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -63.3 -42.04 99.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.042 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.82 -38.78 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 26' ' ' LYS . 22.2 t -59.85 -37.28 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.893 ' CD2' HD22 ' A' ' 96' ' ' LEU . 41.2 mt -60.72 -24.3 65.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -58.58 -25.52 62.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.619 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 3.1 mt -82.51 -27.66 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 39' ' ' MET . 30.4 m-85 -76.68 -11.49 59.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 10.9 pt-20 -103.33 -45.29 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -114.97 -33.02 5.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.619 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -62.78 155.28 41.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -51.45 -22.47 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.568 ' HG2' ' CE1' ' A' ' 34' ' ' PHE . 16.1 tpp -62.12 -12.07 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.28 -2.37 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -73.95 -30.4 62.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -105.07 33.24 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 47' ' ' ALA . 78.3 t -125.53 128.6 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -97.27 95.99 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 -95.99 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -122.22 22.1 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.7 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -132.19 178.09 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.558 HD11 ' HA3' ' A' ' 52' ' ' GLY . 15.1 tt -145.31 152.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.07 -175.43 50.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -70.89 -40.11 72.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.07 -17.34 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.558 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -74.82 -24.0 73.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.74 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -69.79 -51.65 32.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -75.22 -24.0 57.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.67 ' CE2' ' CD2' ' A' ' 60' ' ' TYR . 3.3 t80 -75.45 -46.08 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.06 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -54.59 -21.89 11.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 7.7 tttm -68.42 -59.45 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.41 ' CD1' ' HE2' ' A' ' 39' ' ' MET . 19.3 mt -73.85 -45.33 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.67 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 3.9 t80 -39.69 -64.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -91.12 -7.69 50.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.53 4.02 4.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.536 HG21 HG23 ' A' ' 66' ' ' VAL . 1.1 m -51.12 158.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 12.1 t70 -96.68 -9.2 29.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.43 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -170.57 116.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.97 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -101.88 147.9 34.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.673 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.1 Cg_endo -75.02 120.24 5.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -30.56 64.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -53.09 -51.1 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' HG ' HD12 ' A' ' 74' ' ' LEU . 1.1 tp -70.09 -46.47 64.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p -56.39 -26.36 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.84 -49.07 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.27 -34.48 68.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.06 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.8 mt -56.18 -41.66 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.477 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . 21.2 t80 -71.68 -36.54 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.19 -41.03 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -45.63 -63.59 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -120.34 129.72 54.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HG3' ' CE1' ' A' ' 75' ' ' PHE . 4.8 tt0 -131.46 -151.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.0 m -70.5 -11.85 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.63 38.91 67.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -141.81 -98.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.777 . . . . 0.0 109.622 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 62.27 37.85 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.102 . . . . 0.0 108.259 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.66 38.8 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 49.83 89.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.66 23.73 5.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.8 m 38.5 49.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -148.73 79.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 89' ' ' VAL . 46.2 t -128.65 38.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.2 t -105.6 -9.77 17.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.35 77.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -86.02 123.03 30.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.487 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 2.2 m -107.38 139.14 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -121.11 133.42 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.4 t -64.24 130.14 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.893 HD22 ' CD2' ' A' ' 31' ' ' LEU . 3.9 mt -70.04 -44.21 69.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -50.19 -34.12 21.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.472 ' OD1' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -70.32 -37.94 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -74.41 -38.69 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 104' ' ' SER . 12.0 t -56.11 -23.6 35.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.148 . . . . 0.0 109.982 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 5.9 t -76.7 -51.79 10.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.589 ' OH ' HD13 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -53.12 -54.99 27.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.466 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.48 -33.07 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 100' ' ' SER . 2.2 t -59.02 -29.54 67.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.7 -41.82 59.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.667 HD23 ' SD ' ' A' ' 20' ' ' MET . 8.5 mp -58.12 -57.74 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -56.79 -41.69 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 39.41 68.33 0.52 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -85.56 44.7 3.39 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 111.29 21.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.18 41.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -178.05 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.4 t0 178.53 97.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.78 165.57 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 176.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.586 ' O ' ' CD1' ' A' ' 117' ' ' TRP . 3.4 mm-40 -104.92 -149.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -173.79 -94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 107.979 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 mmm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.502 0.191 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.13 46.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 -121.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 169.12 156.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 79' ' ' GLU . 1.3 ptt180 178.75 146.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.62 109.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mp -117.36 118.56 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.6 HG22 ' HB1' ' A' ' 73' ' ' ALA . 5.3 pt -95.01 116.27 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.74 179.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.99 0.03 9.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -50.93 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.1 -35.03 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -72.01 -36.37 69.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HB1' HD23 ' A' ' 115' ' ' LEU . . . -69.77 -38.78 76.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.596 ' OE1' ' CD2' ' A' ' 19' ' ' TYR . 2.7 tp-100 -63.46 -52.84 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.629 ' CD1' HD21 ' A' ' 70' ' ' LEU . 2.2 tp -58.63 -48.55 80.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -63.94 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.03 -52.74 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.596 ' CD2' ' OE1' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -63.29 -51.5 65.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -61.61 -24.02 66.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -65.29 -53.87 37.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.49 -44.15 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.23 163.28 25.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -126.31 17.46 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -176.88 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -134.97 147.5 49.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.674 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 8.2 p -64.7 -30.99 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -55.56 -39.8 71.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -75.96 -47.68 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.9 -35.24 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 100' ' ' SER . 13.2 mt -71.27 -37.13 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.6 -22.15 55.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.2 mt -77.69 -33.69 53.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.517 ' CG ' ' HB3' ' A' ' 39' ' ' MET . 7.3 m-85 -80.55 -13.83 58.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.34 -57.72 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.72 -32.45 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -50.8 -176.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.41 -29.36 67.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.517 ' HB3' ' CG ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -56.83 -16.5 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.28 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 16.3 ptpt -67.89 -35.32 78.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 21.6 m-30 -110.4 41.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 39' ' ' MET . 81.2 t -123.24 141.7 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -113.64 80.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.69 -97.74 1.86 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 96' ' ' LEU . 31.3 m-20 -123.78 1.47 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.758 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -105.25 144.92 31.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.585 HG23 ' HG ' ' A' ' 96' ' ' LEU . 11.4 pt -109.97 158.6 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 156.25 21.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 75' ' ' PHE . 0.7 OUTLIER -59.68 -36.52 76.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -72.54 -48.52 39.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.6 -39.08 65.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.697 ' HE1' HD11 ' A' ' 57' ' ' LEU . 9.7 t80 -55.84 -26.85 48.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.05 -31.41 72.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -34.37 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.674 ' HZ ' HG23 ' A' ' 27' ' ' VAL . 65.6 t80 -56.19 -43.49 78.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.931 ' HB3' HG21 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -59.96 -22.25 62.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -70.04 -59.49 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.52 -47.87 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 56' ' ' PHE . 3.6 t80 -40.69 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.708 HD11 HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -80.04 -4.17 51.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 65.77 10.51 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.622 HG21 HG23 ' A' ' 66' ' ' VAL . 3.8 m -62.56 160.6 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 11.2 t70 -102.32 -9.32 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -165.72 112.94 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.931 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -99.64 147.65 33.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.618 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.02 140.98 26.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -71.45 -29.36 64.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -56.56 -49.59 74.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.63 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.706 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.9 tp -71.65 -46.46 58.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -32.04 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 72' ' ' LEU . 3.5 tp -69.73 -48.9 57.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.6 ' HB1' HG22 ' A' ' 8' ' ' ILE . . . -70.35 -27.02 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.2 mt -67.32 -30.07 69.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.455 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.3 t80 -74.35 -55.27 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.471 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 5.3 pt20 -62.55 -23.49 67.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 t -50.82 -28.07 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 98' ' ' ASP . 2.8 m-85 -143.71 162.8 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' NH2' ' A' ' 5' ' ' ARG . 1.3 tt0 179.36 165.1 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.4 p -119.71 -138.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.67 91.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -66.04 -78.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 109.633 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.27 148.04 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 108.285 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -93.45 55.31 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 61.76 68.79 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -141.89 -149.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 87' ' ' THR . 17.9 m -135.12 44.16 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -135.12 91.99 2.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 89' ' ' VAL . 61.1 t -121.64 38.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.547 HG23 ' HG2' ' A' ' 91' ' ' LYS . 3.3 t -89.97 172.27 8.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HG2' HG23 ' A' ' 90' ' ' THR . 0.2 OUTLIER 38.91 74.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.04 96.64 9.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.758 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 28.7 m -108.03 173.57 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.482 HG13 ' CG1' ' A' ' 48' ' ' ILE . 2.5 p -148.03 152.22 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.95 137.41 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -68.56 -50.7 49.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.25 -42.76 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 3.9 m-20 -58.18 -41.18 83.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.2 t -74.64 -35.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.636 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.7 t -68.81 -26.45 65.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -37.23 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 108.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -73.04 -48.86 32.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.561 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 5.3 m-85 -67.87 -26.1 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 t -64.82 -25.02 67.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.05 63.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.44 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -29.18 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -39.28 -50.96 2.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.6 55.73 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -105.29 107.05 58.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.65 42.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 179.62 -36.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -162.72 110.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.355 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 176.46 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.616 HD23 ' HB1' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -62.24 176.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.461 ' C ' ' N ' ' A' ' 118' ' ' SER . 2.1 mt-10 -104.15 -148.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.601 ' O ' ' CG ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER 40.56 30.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 107.979 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.461 ' N ' ' C ' ' A' ' 116' ' ' GLU . 58.5 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.497 0.189 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.07 43.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.95 -120.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 102.84 4.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.53 178.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.61 80.2 1.69 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 mt -77.86 64.88 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 pt -90.79 117.1 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -50.13 179.46 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.038 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -0.1 9.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -48.29 14.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.727 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -74.86 -35.49 62.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -45.32 80.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.91 15.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.57 -53.9 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 16' ' ' LEU . 5.3 tp -58.13 -41.73 84.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -56.69 -55.44 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -59.16 -59.02 6.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 61' ' ' LEU . 1.8 m-85 -51.58 -53.6 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 27.1 mmm -52.92 -49.24 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -40.93 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -39.31 69.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -78.17 136.33 37.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -132.37 18.02 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -179.74 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -105.09 146.87 28.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.96 -34.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -65.45 -32.78 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.09 -40.46 68.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 60' ' ' TYR . 45.7 t -72.34 -37.78 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 31' ' ' LEU . 31.8 mt -66.94 -25.54 66.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -58.98 -25.77 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD12 HG21 ' A' ' 59' ' ' ILE . 11.1 mt -73.43 -31.95 64.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 56' ' ' PHE . 52.3 m-85 -80.83 -14.1 58.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.93 -57.57 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.02 -32.09 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.22 -172.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.35 -18.2 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' HD11 ' A' ' 59' ' ' ILE . 34.7 mmm -71.74 -3.76 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.81 -2.5 43.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -15.98 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -110.84 26.69 10.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 47' ' ' ALA . 8.9 t -112.39 136.09 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.783 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 3.8 mt-30 -131.64 122.97 26.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' ALA . . . 41.8 69.21 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.76 24.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 44' ' ' GLN . . . -129.79 175.52 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' VAL . 9.1 tt -138.91 150.9 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.98 -170.98 29.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.75 -57.01 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -35.39 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.42 -28.82 59.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.746 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -74.99 -52.71 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -31.49 71.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -74.63 -38.58 62.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 60' ' ' TYR . 1.6 t80 -56.88 -45.06 82.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.951 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -55.09 -22.38 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -59.47 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.543 HG21 HD12 ' A' ' 33' ' ' LEU . 13.7 mt -72.49 -46.76 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 28.0 t80 -46.41 -65.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.4 mp -85.67 8.91 17.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 41.1 28.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 61' ' ' LEU . 11.9 m -77.21 167.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.62 -5.52 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.3 117.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.722 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -103.29 147.6 34.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.722 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.99 124.59 8.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -32.92 70.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -43.64 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.557 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.65 ' HG ' HD12 ' A' ' 74' ' ' LEU . 1.7 tp -73.43 -48.49 33.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -24.16 48.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 72' ' ' LEU . 4.3 tp -75.18 -49.14 20.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.727 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -72.82 -33.01 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.951 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.0 mt -53.19 -50.8 63.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -74.1 -41.26 61.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -24.48 67.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' ALA . 32.0 p -73.47 -35.92 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' CZ ' HG22 ' A' ' 99' ' ' VAL . 37.7 m-85 -88.21 -85.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 46.34 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -40.46 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.429 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.654 ' H ' HG23 ' A' ' 80' ' ' THR . . . 79.72 143.85 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.04 142.12 24.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.552 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.1 OUTLIER 64.8 136.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.281 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 83' ' ' CYS . 3.7 mm? -106.19 32.62 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -170.45 85.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.71 134.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.1 p -93.23 65.46 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -153.56 58.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 89' ' ' VAL . 24.6 t -115.15 38.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.2 t -91.17 -9.41 45.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.18 79.8 2.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -73.38 84.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 6.0 m -142.17 168.53 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ILE . 93.3 t -148.5 152.66 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.646 ' O ' HG23 ' A' ' 99' ' ' VAL . 36.5 t -75.41 133.91 41.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.349 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.77 -44.37 18.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -61.26 -33.82 74.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' CB ' ' HB3' ' A' ' 95' ' ' CYS . 12.6 t70 -68.31 -41.57 80.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 95' ' ' CYS . 96.2 t -71.94 -28.05 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -71.66 -26.77 62.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.7 t -76.3 -48.1 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.49 -53.56 54.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.645 ' CD2' HG12 ' A' ' 99' ' ' VAL . 1.8 m-85 -58.9 -33.84 71.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 t -59.65 -37.91 80.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.35 -50.97 26.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.454 ' HB3' ' HE2' ' A' ' 20' ' ' MET . 0.7 OUTLIER -49.75 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -40.77 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.83 -72.77 0.49 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.45 76.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.88 95.72 34.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.29 14.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -178.07 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.96 102.53 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.64 4.99 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 115' ' ' LEU . 5.3 mt -49.48 171.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 115' ' ' LEU . 3.5 mm-40 -139.02 145.12 39.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -133.48 -111.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.029 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 mtm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.455 0.169 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.05 72.5 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -68.43 -122.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.37 -170.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -179.55 36.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' LEU . . . -169.44 -133.18 1.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER 61.55 122.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 0.814 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.63 HD12 ' OD2' ' A' ' 12' ' ' ASP . 24.6 pt 41.37 28.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 56.45 170.28 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.41 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.99 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.3 -50.15 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.63 ' OD2' HD12 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -75.61 -38.13 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 5.7 t80 -62.9 -36.16 82.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -61.49 -56.98 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.36 -56.42 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.967 HD13 HD11 ' A' ' 70' ' ' LEU . 3.0 tp -56.54 -44.41 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 15.0 tt0 -61.7 -62.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -48.76 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.764 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.3 m-85 -64.46 -54.03 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.458 ' HG3' HD21 ' A' ' 61' ' ' LEU . 51.6 mtp -53.65 -49.65 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -24.43 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.64 140.26 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 24' ' ' THR . 1.4 t -120.51 15.85 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -94.05 -176.71 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -134.77 142.03 46.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.538 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 9.3 p -64.51 -33.69 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -65.48 -26.29 67.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -76.16 -48.12 21.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.791 HG21 ' HA ' ' A' ' 60' ' ' TYR . 97.4 t -67.29 -29.81 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -56.96 -54.51 45.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 5.8 pttt -58.74 -28.48 65.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 33' ' ' LEU . 6.5 mt -67.91 -38.24 82.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 39' ' ' MET . 0.8 OUTLIER -81.17 -13.46 58.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -84.94 -57.69 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -32.41 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.235 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -51.13 -175.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.58 -23.09 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.56 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -67.83 -7.01 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.69 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -111.82 37.45 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 47' ' ' ALA . 76.0 t -124.15 129.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 11.0 mt-30 -118.9 123.65 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.29 44.93 52.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.92 19.34 11.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.595 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -124.87 174.44 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.578 HD13 ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -137.59 149.2 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.578 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -102.06 -177.64 27.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -69.93 -30.37 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.16 -55.58 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.52 -37.78 61.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 74' ' ' LEU . 38.8 t80 -57.08 -26.33 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 111.051 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -65.61 -43.32 89.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.36 -21.94 59.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.538 ' HZ ' HG23 ' A' ' 27' ' ' VAL . 57.3 t80 -70.86 -45.77 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.845 HD11 HD13 ' A' ' 74' ' ' LEU . 7.9 mt -60.35 -23.53 64.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 18.8 tttm -66.5 -60.07 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 55' ' ' GLN . 4.7 mp -73.24 -48.46 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.791 ' HA ' HG21 ' A' ' 30' ' ' VAL . 8.9 t80 -47.72 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.764 HD22 ' HB3' ' A' ' 19' ' ' TYR . 9.0 mt -76.37 -1.91 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.37 16.85 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -76.15 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.01 -11.12 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.26 115.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.781 HG23 HG21 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -98.37 147.38 33.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.693 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 138.3 22.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -29.97 68.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.01 -42.46 80.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.967 HD11 HD13 ' A' ' 16' ' ' LEU . 3.8 tp -73.57 -41.93 62.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -30.52 62.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.2 -47.31 51.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.621 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -69.88 -36.08 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 57' ' ' LEU . 3.8 mt -52.84 -51.92 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -53.13 -24.23 9.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 t -63.56 -53.18 55.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.85 143.92 48.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -164.93 106.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -23.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.64 -74.54 0.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 44.28 41.68 4.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.577 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.758 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -164.62 130.67 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 108.319 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.758 HD22 ' C ' ' A' ' 83' ' ' CYS . 4.0 mm? -127.69 42.19 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -175.02 69.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -140.33 -150.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 87' ' ' THR . 3.8 m -143.61 43.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -158.52 48.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.6 t -113.93 38.97 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 91' ' ' LYS . 5.2 t -110.0 -10.24 14.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -124.73 78.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -61.84 86.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 33.6 m -127.39 176.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 48' ' ' ILE . 6.9 p -162.03 157.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.4 t -74.9 135.38 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -43.66 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.64 -32.94 70.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.89 -40.29 91.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.1 -32.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.703 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.7 t -73.6 -22.6 59.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.11 -47.24 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 108.261 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.88 -54.12 46.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.57 -33.94 70.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.9 t -59.11 -30.33 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 110' ' ' ARG . 3.1 mt -74.48 -36.02 63.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.92 -45.46 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -53.54 -51.13 63.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 138.32 68.17 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -120.28 -110.02 2.25 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.721 ' O ' HD13 ' A' ' 105' ' ' LEU . 4.8 mtt-85 -119.92 136.73 25.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.73 42.19 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -149.15 -45.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.518 ' HB2' HD11 ' A' ' 7' ' ' LEU . 5.8 m-20 -78.93 68.02 4.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -77.04 -163.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.406 ' C ' ' CG ' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -53.8 160.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -152.35 132.26 13.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -91.92 -111.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.037 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.507 0.194 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 40.2 42.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 4' ' ' GLU . 4.3 tptp -84.91 -127.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 56.61 113.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.01 139.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 59.1 14.54 25.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -47.09 132.57 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.549 HD12 ' HB3' ' A' ' 12' ' ' ASP . 6.4 pt -116.9 37.57 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER 53.38 170.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.0 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -79.42 -52.05 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.596 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -76.6 -39.54 52.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 9.6 t80 -63.66 -39.08 93.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . -62.24 -55.82 24.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -53.39 -55.99 20.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.715 HD23 HD11 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -58.64 -50.09 75.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -55.44 -44.85 76.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.271 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 7.1 tttt -68.82 -59.15 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.703 ' CD2' HG11 ' A' ' 63' ' ' VAL . 5.3 m-85 -48.53 -31.24 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' SER . 10.0 tpp -77.39 -38.71 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -40.57 -33.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.524 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -86.51 -36.96 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -74.87 123.81 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 24' ' ' THR . 1.7 t -125.89 16.92 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.26 -179.49 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -104.92 140.27 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.21 -22.93 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -70.04 -24.47 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.043 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -45.44 55.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.6 t -70.53 -27.52 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -58.49 -56.03 27.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -58.88 -34.98 72.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -56.19 -43.81 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 12.0 m-85 -81.89 -13.76 57.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.7 mm-40 -85.15 -57.87 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -113.93 -32.44 6.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -60.24 157.98 27.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -46.56 -28.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.477 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 8.7 mmt -56.88 -16.55 6.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -77.19 -2.5 34.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -27.22 67.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -109.61 31.27 5.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 47' ' ' ALA . 77.7 t -124.27 129.41 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.492 HE21 ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -105.44 131.35 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.39 -98.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -135.34 19.3 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -131.83 170.27 15.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 9.3 tt -131.18 157.59 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.2 -175.18 42.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 26.2 t80 -78.96 -25.64 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.42 67.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.3 -40.84 98.24 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 99' ' ' VAL . 2.5 m-85 -54.74 -27.88 44.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.51 -61.04 2.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.24 -28.24 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 16.7 t80 -58.41 -51.44 69.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.882 HD21 ' CD1' ' A' ' 74' ' ' LEU . 4.2 mt -54.72 -22.33 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -66.65 -59.06 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.6 -47.97 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.74 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 8.8 t80 -49.25 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.715 HD11 HD23 ' A' ' 16' ' ' LEU . 9.5 mt -69.09 -8.89 49.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.67 32.85 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.703 HG11 ' CD2' ' A' ' 19' ' ' TYR . 1.8 m -97.06 161.4 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.459 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 23.2 t0 -97.36 -14.09 21.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.459 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -163.53 106.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.776 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -95.02 148.7 35.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.776 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.1 Cg_endo -74.97 128.62 11.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -35.27 74.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -38.83 62.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.596 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.9 tp -74.21 -46.19 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 p -57.44 -30.52 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 tp -70.17 -49.22 52.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.27 -33.11 71.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.882 ' CD1' HD21 ' A' ' 57' ' ' LEU . 5.4 mt -54.71 -43.37 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 50' ' ' TYR . 3.6 t80 -68.61 -48.29 64.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.36 -46.19 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 t -45.97 -60.29 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -121.48 126.89 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.506 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -154.73 125.54 7.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.07 -21.81 18.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.88 85.21 1.09 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.87 -175.21 3.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.569 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -127.22 90.56 3.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 108.286 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -97.82 43.09 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 86' ' ' GLU . 0.2 OUTLIER 71.56 93.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' ASN . 3.5 mm-40 35.53 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 87' ' ' THR . 27.3 m -119.45 30.34 7.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.4 t30 61.33 42.31 11.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.63 96.04 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -123.13 -2.24 8.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.602 ' O ' HG22 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -133.51 91.57 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -60.1 90.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 91' ' ' LYS . 5.5 m -118.02 171.15 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.15 153.46 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 98' ' ' ASP . 1.2 m -74.93 136.53 41.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 108.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -54.3 10.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -55.07 -31.64 61.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.455 ' HB2' ' CB ' ' A' ' 95' ' ' CYS . 0.4 OUTLIER -65.82 -43.61 88.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.552 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 53.4 t -67.73 -32.31 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB2' HD11 ' A' ' 31' ' ' LEU . 22.6 t -66.04 -24.12 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.2 t -77.0 -50.68 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 108.34 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.429 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 27.9 t80 -60.77 -54.35 46.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.74 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.8 m-30 -58.29 -33.27 69.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.5 t -58.97 -35.09 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -36.66 68.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.56 -34.62 62.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 102.8 86.78 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.2 47.84 0.28 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -102.37 125.58 35.81 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.551 0.795 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.15 41.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -17.63 62.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.7 t70 40.4 38.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -50.52 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.89 176.83 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.442 ' N ' ' OE2' ' A' ' 116' ' ' GLU . 0.2 OUTLIER -142.8 127.52 18.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -92.29 -111.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.532 0.206 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.51 73.5 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -127.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.7 155.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -137.35 108.2 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.03 -9.51 5.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' ILE . 1.9 mm? -94.13 175.09 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 8' ' ' ILE . 15.1 tt 37.83 89.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.418 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -48.02 173.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.93 -4.97 16.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -39.73 63.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.911 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -74.74 -50.32 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -40.75 63.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.36 96.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' OE1' ' CD1' ' A' ' 19' ' ' TYR . 2.8 tp60 -70.84 -52.68 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.764 HD11 HD21 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -52.38 -45.28 65.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -56.26 -63.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.19 -53.22 17.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.591 ' CD1' ' OE1' ' A' ' 15' ' ' GLN . 1.8 m-85 -57.71 -42.79 84.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.7 mtp -61.68 -44.92 96.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -53.85 5.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -39.62 68.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 134.17 41.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 24' ' ' THR . 1.3 t -117.02 20.42 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -97.7 164.1 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 4.9 mmtm -105.09 146.01 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.61 -23.36 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -65.95 -32.52 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.28 -41.4 70.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.91 HG21 ' HA ' ' A' ' 60' ' ' TYR . 54.4 t -74.18 -25.52 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -63.65 -54.89 28.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -58.2 -31.35 67.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.1 mt -59.71 -45.16 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 56' ' ' PHE . 15.0 m-85 -81.54 -13.67 57.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.3 mm-40 -84.03 -57.74 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -115.95 -32.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -54.9 176.19 0.5 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.42 -21.5 66.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.585 ' SD ' HD12 ' A' ' 59' ' ' ILE . 33.8 mmt -66.24 -8.52 25.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.61 -2.19 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.2 -12.07 59.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.565 ' CD1' ' HA2' ' A' ' 52' ' ' GLY . 12.7 m-85 -108.29 18.54 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.8 t -119.62 128.42 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -123.04 125.8 45.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.113 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.79 31.57 46.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.504 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 1.4 t0 80.43 -1.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -106.68 130.1 54.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 94' ' ' VAL . 6.1 tt -92.85 150.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.8 165.21 29.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.66 -37.89 83.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 1.4 tt0 -68.12 -46.58 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.565 ' HA2' ' CD1' ' A' ' 42' ' ' TYR . . . -56.54 -38.34 80.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -56.76 -27.62 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 3.5 mm-40 -61.45 -59.57 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.457 ' CD ' ' CD2' ' A' ' 42' ' ' TYR . 5.3 pt20 -57.16 -23.83 50.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.665 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 1.9 t80 -66.35 -50.83 62.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.906 ' HB3' HG21 ' A' ' 66' ' ' VAL . 3.7 mt -63.95 -22.63 67.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.9 tttm -68.07 -59.05 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.585 HD12 ' SD ' ' A' ' 39' ' ' MET . 50.3 mt -71.83 -48.48 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.91 ' HA ' HG21 ' A' ' 30' ' ' VAL . 15.3 t80 -45.6 -68.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 19' ' ' TYR . 4.8 mt -76.53 -13.58 60.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 72.82 4.91 5.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.655 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -61.03 158.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -86.94 -14.06 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.51 116.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.906 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -87.32 148.44 44.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.623 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.98 132.51 15.53 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -61.27 -32.51 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -53.31 -49.08 67.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.65 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.911 HD12 ' OD2' ' A' ' 12' ' ' ASP . 2.6 tp -74.74 -46.62 36.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.17 -25.24 58.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' ARG . 6.2 tp -75.1 -49.18 20.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.71 -26.99 62.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.825 HD13 HD11 ' A' ' 57' ' ' LEU . 5.8 mt -60.5 -40.64 92.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -69.35 -40.73 77.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.1 -20.58 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -68.68 73.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 36.8 t80 60.74 166.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.909 ' HA ' HG22 ' A' ' 94' ' ' VAL . 14.5 mp0 -139.39 -172.96 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.471 ' HB ' HG23 ' A' ' 93' ' ' VAL . 6.0 t -51.35 -33.35 29.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.17 -178.73 32.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.67 -91.85 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 0.0 109.567 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 m 63.43 43.38 6.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 108.357 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' O ' ' CG ' ' A' ' 85' ' ' ASN . 2.9 mm? -84.86 49.36 1.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 84' ' ' LEU . 3.0 m120 175.34 39.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.75 -149.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 87' ' ' THR . 3.5 m -146.55 43.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.45 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -139.07 66.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.673 ' O ' HG12 ' A' ' 89' ' ' VAL . 91.4 t -113.65 38.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.3 t -96.51 -11.14 25.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.01 86.4 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.7 76.77 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.576 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 7.1 m -134.85 161.74 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.909 HG22 ' HA ' ' A' ' 79' ' ' GLU . 90.4 t -131.58 149.08 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.44 97.29 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 96' ' ' LEU . 1.5 pt? -48.32 -24.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -74.47 -47.32 34.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -26.94 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 103' ' ' PHE . 76.5 t -75.06 -30.76 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 31' ' ' LEU . 9.4 t -59.77 -33.32 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.15 -54.71 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.493 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.6 OUTLIER -52.61 -38.27 59.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -74.12 -31.04 62.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.5 t -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -74.39 -37.1 63.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 102' ' ' TYR . 3.3 mm? -47.83 -51.37 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' OE1' ' NZ ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -57.5 -54.03 51.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.99 40.64 2.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . -83.33 48.4 4.03 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -60.52 125.57 82.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 159.22 41.74 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -108.71 -15.46 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -165.98 97.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 163.71 25.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.66 176.75 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 127.43 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -129.62 -114.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 107.994 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mmm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.504 0.193 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.11 46.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -89.98 -131.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -149.83 18.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -41.8 123.24 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.4 118.55 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 90.8 3.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.44 HG23 ' HB2' ' A' ' 77' ' ' SER . 9.6 pt -53.33 118.61 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.86 179.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.957 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.0 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -49.04 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.633 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -74.9 -38.02 61.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.1 -35.31 79.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.9 -56.32 18.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG3' ' CE1' ' A' ' 19' ' ' TYR . 1.2 tp60 -51.71 -56.06 15.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -56.47 -40.12 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -58.91 -57.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -60.18 -52.0 67.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.535 ' C ' HD22 ' A' ' 61' ' ' LEU . 4.5 m-85 -57.18 -37.71 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' SER . 40.2 ttm -71.84 -47.71 51.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -42.15 -50.98 4.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.09 -33.04 72.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -77.17 148.56 35.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -138.43 11.99 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -94.03 173.92 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -105.25 141.45 36.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.604 HG21 ' HD2' ' A' ' 103' ' ' PHE . 9.1 p -72.87 -33.59 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -29.19 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -32.56 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 33' ' ' LEU . 39.7 t -68.94 -36.57 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.97 -35.11 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.64 -29.97 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 30' ' ' VAL . 1.7 mt -80.93 -33.41 34.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -81.5 -13.65 57.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -87.39 -49.12 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 11.6 t70 -122.9 -34.0 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.565 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -56.45 165.64 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.32 -27.5 23.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 59' ' ' ILE . 37.6 mmt -56.57 -17.29 8.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.96 -2.31 33.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -64.42 -28.85 69.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -105.69 35.34 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.5 t -128.11 128.68 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -118.91 122.94 43.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 53.55 33.98 48.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 12.2 t0 77.23 1.72 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -106.48 137.55 44.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 96' ' ' LEU . 8.9 tt -113.88 153.19 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.73 -171.15 43.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.3 t80 -74.55 -56.3 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 4.9 tt0 -50.49 -47.2 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.01 -37.62 71.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.544 ' HE1' HG21 ' A' ' 99' ' ' VAL . 5.1 t80 -57.62 -28.04 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 3.5 mm-40 -59.92 -43.61 94.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' NE2' ' SD ' ' A' ' 39' ' ' MET . 10.7 tt0 -64.75 -32.32 73.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 22.5 t80 -60.51 -51.38 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.876 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -54.77 -22.23 13.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.4 tttt -67.92 -58.82 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.549 HD11 ' SD ' ' A' ' 39' ' ' MET . 1.2 mp -75.04 -48.2 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.749 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 3.1 t80 -47.4 -66.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD22 ' C ' ' A' ' 19' ' ' TYR . 7.0 mt -79.19 -7.77 58.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 1.9 tm-20 64.57 11.25 6.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.691 HG21 HG23 ' A' ' 66' ' ' VAL . 2.8 m -71.09 151.72 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 26.9 t70 -89.11 -8.26 54.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -169.91 116.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.876 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -100.42 147.24 33.31 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.665 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -75.0 143.37 28.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -32.77 69.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -55.58 -44.64 77.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.635 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.2 tp -69.32 -48.89 60.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -23.29 57.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.6 -48.82 24.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.492 ' HB3' ' CG ' ' A' ' 12' ' ' ASP . . . -72.42 -34.28 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.851 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.2 mt -55.09 -44.05 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' CE2' ' OE2' ' A' ' 79' ' ' GLU . 6.7 t80 -73.49 -47.56 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.29 -22.0 16.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.44 ' HB2' HG23 ' A' ' 8' ' ' ILE . 39.3 t -66.72 -68.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -120.24 151.76 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' OE2' ' CE2' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -141.02 -152.31 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.23 -16.21 50.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.57 -174.49 23.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -58.42 -79.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.548 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m 56.92 39.48 29.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.1 51.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 170.52 88.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 175.91 135.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 m -114.98 54.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -158.31 51.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.56 95.85 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.2 t -122.6 -3.0 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -120.23 78.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 93.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.464 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 19.4 m -128.4 156.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.3 151.77 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 97' ' ' ASN . 4.9 t -74.46 94.22 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 96' ' ' LEU . 1.3 pt? -48.58 -22.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 95' ' ' CYS . 12.6 t30 -66.77 -50.7 61.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.59 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 9.9 t70 -55.31 -29.88 59.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.544 HG21 ' HE1' ' A' ' 53' ' ' PHE . 24.3 t -74.25 -38.16 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -59.23 -26.37 64.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -77.14 -55.87 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.2 -40.45 67.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.749 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 m-30 -72.73 -37.7 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 t -59.66 -36.52 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.28 -44.71 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HB3' ' CE ' ' A' ' 20' ' ' MET . 4.2 mp -48.1 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.62 -44.36 74.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -40.53 -38.09 1.39 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -94.73 48.45 2.05 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 147.87 39.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.19 41.37 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -97.79 -17.63 19.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.2 t70 40.38 49.49 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -50.76 179.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.68 158.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -151.25 130.87 13.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -71.12 -112.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 108.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.507 0.194 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.19 40.73 27.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -116.36 -132.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.25 -150.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.65 159.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.416 ' C ' HD22 ' A' ' 7' ' ' LEU . . . 52.68 97.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.743 ' N ' HD22 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -105.17 -170.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.487 HD12 ' OD1' ' A' ' 12' ' ' ASP . 21.1 pt -132.28 13.98 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 8' ' ' ILE . 0.5 OUTLIER 53.21 171.16 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.773 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.95 -43.69 29.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.846 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 6.0 t70 -74.9 -41.95 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.49 -44.84 93.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.9 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.499 ' OE1' HD22 ' A' ' 70' ' ' LEU . 14.3 tm0? -50.89 -53.04 35.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.632 HD21 ' HE1' ' A' ' 103' ' ' PHE . 10.7 tp -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.16 -31.69 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -82.09 -46.26 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.981 ' CE2' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -68.02 -55.11 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 16' ' ' LEU . 3.3 ppp? -53.05 -27.7 21.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -53.87 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -46.32 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 144.51 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.4 p -127.94 10.92 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -79.1 -179.42 6.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -105.11 143.33 33.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.78 -28.49 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -69.09 -23.38 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -41.37 66.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.731 HG21 ' HA ' ' A' ' 60' ' ' TYR . 76.1 t -75.13 -26.26 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.1 OUTLIER -64.49 -51.51 62.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.36 -31.68 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.0 mt -57.93 -41.84 83.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 39' ' ' MET . 18.4 m-85 -81.58 -12.94 58.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -86.78 -51.12 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.33 -34.14 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.19 170.7 0.69 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -60.17 -14.24 16.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 34' ' ' PHE . 79.4 mmm -79.34 5.12 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.53 -2.27 58.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -76.23 -20.66 57.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -116.03 47.44 1.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.9 t -136.59 130.32 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -102.63 85.51 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.93 -88.3 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.62 22.44 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.527 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -138.38 131.48 30.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.547 HD11 ' CA ' ' A' ' 52' ' ' GLY . 16.1 tt -113.85 151.64 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.0 -175.31 47.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -61.02 -57.14 13.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.36 -33.07 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.547 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . -77.61 -29.25 55.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -55.34 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -29.0 62.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -35.39 76.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.69 ' CE2' HG12 ' A' ' 30' ' ' VAL . 37.7 t80 -57.33 -46.42 83.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.803 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -55.83 -22.17 23.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 21.0 tttt -69.55 -59.6 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.42 -47.49 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.731 ' HA ' HG21 ' A' ' 30' ' ' VAL . 2.4 t80 -40.06 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.2 mp -79.29 -9.34 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 5.4 tt0 71.71 7.12 5.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.981 HG11 ' CE2' ' A' ' 19' ' ' TYR . 1.9 m -55.47 153.38 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 -9.49 40.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.01 115.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.689 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -98.39 149.07 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.689 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.97 128.28 11.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' LEU . 1.6 ptp180 -60.75 -25.54 66.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.44 -48.1 81.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.756 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.5 tp -75.01 -46.48 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -25.22 66.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ARG . 12.2 tp -73.56 -49.26 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.846 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -71.7 -30.46 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.803 ' CD1' HD21 ' A' ' 57' ' ' LEU . 5.8 mt -60.78 -47.06 88.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -74.96 -41.0 60.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -40.22 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 8' ' ' ILE . 52.6 p -62.57 -49.62 74.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 94' ' ' VAL . 24.6 m-85 -101.35 107.33 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -159.23 113.66 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -19.47 65.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.17 -80.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.8 t60 75.59 85.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.61 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.14 129.51 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.3 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -114.24 45.8 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 177.81 92.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -145.28 -149.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 87' ' ' THR . 2.8 t -175.09 33.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 110.379 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -174.0 83.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.75 81.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 t -137.95 -43.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.416 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -99.6 91.74 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.64 116.82 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.527 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 10.5 m -107.32 160.2 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 78' ' ' PHE . 9.2 p -136.91 162.38 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.429 ' N ' HG22 ' A' ' 94' ' ' VAL . 1.7 m -74.29 136.68 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.89 37.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -58.34 -39.09 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.22 -37.54 80.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 78' ' ' PHE . 39.6 t -74.4 -47.06 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' ' 31' ' ' LEU . 10.0 t -54.64 -21.54 10.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -72.3 -46.07 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 106' ' ' LEU . 2.6 t80 -56.93 -52.74 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.632 ' HE1' HD21 ' A' ' 16' ' ' LEU . 22.8 m-85 -65.22 -40.4 94.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.8 t -59.28 -40.16 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -70.48 -37.15 74.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 102' ' ' TYR . 4.3 mp -54.54 -66.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.59 -40.62 69.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.49 46.13 1.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . 173.94 39.43 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.84 143.92 26.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 158.3 42.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -94.2 -20.75 19.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.3 75.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 175.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.98 178.06 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.96 129.61 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -84.39 -8.35 59.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' CE ' ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.503 0.192 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.78 50.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -76.13 -123.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 166.05 155.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -129.26 -175.15 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 5' ' ' ARG . . . -35.39 92.5 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 5' ' ' ARG . 3.1 mp -41.05 110.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.734 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 8' ' ' ILE . 13.6 tt -56.49 104.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.463 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -50.15 176.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.037 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -50.63 13.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.96 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.67 -38.39 62.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -35.93 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -53.6 44.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.1 tp60 -51.61 -55.8 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 16' ' ' LEU . 7.3 tp -56.49 -41.56 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -56.64 -58.72 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.634 ' HB3' HD22 ' A' ' 61' ' ' LEU . 9.9 m-85 -51.83 -44.22 63.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.736 ' SD ' HD23 ' A' ' 106' ' ' LEU . 79.0 mtp -62.27 -56.08 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -53.17 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -39.27 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.0 165.78 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -142.57 63.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 169.62 14.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.7 mmtp -105.14 146.43 29.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.63 -31.86 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -64.45 -36.27 83.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.8 -33.89 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.569 HG11 ' HA ' ' A' ' 60' ' ' TYR . 72.7 t -73.89 -44.19 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.839 HD22 HD22 ' A' ' 96' ' ' LEU . 37.0 mt -67.64 -21.44 65.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -26.19 66.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.622 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 1.2 mt -82.49 -27.58 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 31.5 m-85 -77.3 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 11.2 pt-20 -103.84 -45.45 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -114.29 -32.74 5.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.622 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -67.18 168.95 36.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.69 -25.64 67.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -55.98 -16.97 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -75.52 -2.48 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -68.02 -26.24 65.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 3.9 m-30 -111.92 44.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 47' ' ' ALA . 75.7 t -126.96 128.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.708 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 28.2 mt-30 -117.62 121.93 42.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.3 58.8 4.96 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.62 22.06 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 44' ' ' GLN . . . -124.93 168.22 13.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.552 HG22 ' HG ' ' A' ' 96' ' ' LEU . 3.9 tt -141.78 151.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.16 175.81 43.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -68.46 -30.44 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.4 -54.79 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -54.44 -31.23 51.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.833 ' CE2' HD11 ' A' ' 57' ' ' LEU . 75.2 t80 -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.24 -44.47 95.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.714 ' O ' HD12 ' A' ' 59' ' ' ILE . 9.3 pt20 -75.85 -22.56 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' TYR . 25.4 t80 -68.27 -40.01 82.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.833 HD11 ' CE2' ' A' ' 53' ' ' PHE . 2.3 mt -61.91 -22.69 65.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 1.3 tttt -69.82 -60.03 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 55' ' ' GLN . 4.2 mp -70.96 -45.81 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CD2' ' CD1' ' A' ' 61' ' ' LEU . 2.5 t80 -39.98 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.5 mp -83.48 -3.15 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER 69.22 6.0 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.556 HG21 HG23 ' A' ' 66' ' ' VAL . 2.0 m -55.03 152.59 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.54 -9.25 44.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 116.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -98.64 147.4 33.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.631 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.01 134.53 17.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -35.12 80.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -53.33 -41.93 66.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.96 HD12 ' OD2' ' A' ' 12' ' ' ASP . 1.7 tp -74.07 -47.59 35.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -23.19 47.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 tp -74.96 -46.87 32.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.75 64.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.742 HD22 ' HZ ' ' A' ' 53' ' ' PHE . 4.9 mt -53.44 -56.82 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 50' ' ' TYR . 12.3 t80 -62.63 -42.15 99.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -52.75 -45.05 66.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.543 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 25.2 t -85.18 48.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 77' ' ' SER . 0.9 OUTLIER 176.91 109.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -171.12 141.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' CE ' ' A' ' 1' ' ' MET . 1.6 t -83.27 -25.73 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.55 148.88 5.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.482 ' CG ' ' N ' ' A' ' 83' ' ' CYS . 18.1 t-80 178.99 165.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 82' ' ' HIS . 0.0 OUTLIER 74.79 22.45 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 108.292 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 2.0 mm? -90.76 47.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER 78.59 162.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.58 81.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 87' ' ' THR . 32.0 m -118.62 48.79 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.0 t30 42.33 41.15 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.28 39.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -81.22 -9.01 59.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.69 95.08 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -115.68 130.12 56.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -108.71 160.18 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.41 152.96 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.9 m -75.14 135.29 41.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.839 HD22 HD22 ' A' ' 31' ' ' LEU . 1.2 mt -85.02 -43.24 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -61.9 -44.15 97.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.22 -44.15 88.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.42 -41.48 80.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.406 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 47.5 t -55.32 -22.64 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.93 -50.98 12.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.21 -49.82 73.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.485 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 3.3 m-85 -61.84 -33.45 74.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 t -65.17 -38.76 91.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 108' ' ' GLY . 0.1 OUTLIER -74.82 -32.33 61.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.736 HD23 ' SD ' ' A' ' 20' ' ' MET . 3.6 mp -47.66 -61.72 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -51.07 -36.21 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . . . -111.19 45.32 1.34 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.93 51.72 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.16 111.99 6.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 110.33 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.52 26.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -89.05 -22.08 23.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.238 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.75 99.5 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.7 177.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 mt -101.82 177.93 4.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.26 129.61 12.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -85.5 -111.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.437 ' CB ' ' HD2' ' A' ' 3' ' ' LYS . 5.2 ttm . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.532 0.206 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.18 36.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -103.94 -132.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CD1' ' A' ' 102' ' ' TYR . 1.7 tp10 72.39 142.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.06 158.4 33.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 51.2 102.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.62 120.07 17.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.1 pt -66.81 119.76 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -49.89 179.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -48.57 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.656 ' OD1' ' HB3' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -64.12 -42.63 96.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.94 -45.09 93.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -57.11 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.765 ' OE1' HD22 ' A' ' 70' ' ' LEU . 13.9 tm0? -51.2 -54.14 28.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD11 HD21 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -55.37 -48.43 74.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -59.9 -57.1 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -47.4 -55.36 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.825 ' HB3' HD22 ' A' ' 61' ' ' LEU . 2.0 m-85 -61.65 -48.53 80.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.617 ' HA ' HD23 ' A' ' 61' ' ' LEU . 52.9 ttm -56.9 -56.34 22.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.25 -53.43 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -35.82 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -78.75 165.27 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.3 p -137.08 10.91 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -84.32 -177.81 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -134.93 155.09 51.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.89 -32.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -69.38 -22.67 63.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -44.71 62.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 33' ' ' LEU . 71.9 t -73.87 -32.43 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -55.8 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -59.35 -22.26 61.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.578 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 16.8 mt -81.63 -28.13 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CE1' ' CD1' ' A' ' 48' ' ' ILE . 0.2 OUTLIER -75.0 -10.99 60.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 15.1 pt-20 -103.62 -45.39 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -117.47 -33.33 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.578 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.52 -175.49 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.45 -16.42 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.589 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 17.5 mmt -74.78 -11.51 60.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.79 -2.63 30.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -75.24 -22.72 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.79 49.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.563 HG22 HD12 ' A' ' 48' ' ' ILE . 38.2 t -126.46 132.22 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -105.76 89.08 2.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.96 -95.27 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.39 13.5 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -131.64 139.76 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.701 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 10.3 tt -119.59 158.63 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.77 -170.89 40.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -65.98 -54.4 26.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -48.74 -33.93 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -81.14 -29.39 41.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -78.28 -38.68 42.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -36.04 69.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -73.67 -26.46 60.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HD1' HG11 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -61.59 -44.28 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.885 ' HB3' HG21 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -56.06 -21.44 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 5.2 tttp -64.27 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.685 ' H ' HD12 ' A' ' 59' ' ' ILE . 3.9 mp -70.4 -45.51 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.496 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 2.1 t80 -39.88 -69.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -87.46 -2.75 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 4.1 tt0 66.58 8.9 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.63 HG21 HG23 ' A' ' 66' ' ' VAL . 2.4 m -58.27 155.02 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.454 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 3.9 m-20 -89.79 -9.99 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -173.4 117.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.885 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -95.02 147.55 33.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.634 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -53.74 -42.78 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.612 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.765 HD22 ' OE1' ' A' ' 15' ' ' GLN . 3.5 tp -74.12 -44.11 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -56.65 -33.41 66.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 72' ' ' LEU . 4.7 tp -68.62 -48.36 64.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.656 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . . . -70.2 -29.28 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.869 ' CD1' HD21 ' A' ' 57' ' ' LEU . 6.9 mt -62.72 -48.82 77.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CE2' ' OE1' ' A' ' 79' ' ' GLU . 8.5 t80 -66.19 -40.5 90.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.14 -26.79 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -71.58 -48.9 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -123.85 126.73 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 57.9 tt0 -175.47 133.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.7 p -75.92 -130.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 83' ' ' CYS . . . 123.37 -58.46 0.63 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.3 t60 65.57 -75.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 109.618 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 81' ' ' GLY . 73.1 m -99.98 105.74 17.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 84' ' ' LEU . 1.6 mm? -96.1 53.49 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.4 p30 174.23 69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.8 -155.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.1 m -136.29 48.57 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -159.93 64.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.637 ' O ' HG12 ' A' ' 89' ' ' VAL . 63.1 t -128.32 38.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -86.82 -14.5 41.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -123.32 88.22 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.92 99.24 12.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 1.1 m -114.6 177.95 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.22 159.13 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.9 t -75.14 140.12 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.15 -57.11 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -48.98 -30.28 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 19.6 m-20 -67.3 -41.83 84.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.449 HG13 ' CE1' ' A' ' 103' ' ' PHE . 79.4 t -72.53 -43.06 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.2 t -58.49 -23.72 58.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.1 -54.4 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 39.5 t80 -64.29 -42.66 96.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.496 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 5.6 m-85 -67.4 -30.0 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 109' ' ' GLY . 15.9 t -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.29 -52.64 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -61.77 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -47.34 67.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.92 -58.15 0.33 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.157 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 104' ' ' SER . . . 78.57 46.69 8.56 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.48 136.32 22.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -176.02 2.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.06 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.35 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.7 t70 59.71 75.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -164.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -70.12 164.35 24.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 115' ' ' LEU . 3.9 mm-40 -141.34 142.4 33.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -107.76 72.53 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 107.991 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.502 0.191 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.09 60.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -74.54 -124.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 61.05 141.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.06 45.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.48 110.5 2.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mp -139.33 -169.13 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.488 HD13 ' OH ' ' A' ' 102' ' ' TYR . 12.3 pt -43.45 122.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -50.42 -179.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.98 -4.91 16.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -50.03 11.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' OD2' HD12 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -74.94 -31.04 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.8 -42.54 93.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.85 71.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.657 ' NE2' ' CE1' ' A' ' 19' ' ' TYR . 15.8 tm0? -50.62 -53.08 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 61' ' ' LEU . 5.6 tp -62.01 -35.68 79.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.63 -56.95 15.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -60.43 -27.95 67.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -77.35 -42.66 35.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.521 ' HG3' HD21 ' A' ' 61' ' ' LEU . 91.7 mtp -78.01 -44.08 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 22' ' ' TYR . 13.4 pt-20 -44.59 -47.27 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' N ' ' CG ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -73.65 -29.57 62.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.64 150.43 37.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.0 p -131.81 10.84 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -75.34 -176.69 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.83 136.68 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.731 HG22 HD23 ' A' ' 31' ' ' LEU . 1.4 p -70.1 -22.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -58.03 -40.86 81.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -75.59 -35.53 60.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.878 HG21 ' HA ' ' A' ' 60' ' ' TYR . 73.9 t -71.51 -29.22 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.731 HD23 HG22 ' A' ' 27' ' ' VAL . 2.2 mm? -67.02 -62.58 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -18.64 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.1 mt -66.52 -45.92 77.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.591 ' CZ ' ' CD2' ' A' ' 56' ' ' PHE . 19.6 m-85 -83.09 -12.69 56.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.62 -60.15 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -134.64 24.13 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -102.95 -156.24 25.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -23.62 47.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.55 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 32.3 mmt -83.82 11.34 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.24 -2.52 56.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 42' ' ' TYR . 2.2 ptpt -83.36 -20.42 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 41' ' ' LYS . 4.6 m-30 -112.0 39.63 2.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.3 t -123.28 135.22 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -103.5 89.09 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.93 -99.78 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.43 9.33 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.707 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -132.26 141.45 49.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 4.3 tt -109.14 153.92 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.77 173.88 54.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -72.02 -30.33 65.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.72 -51.56 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' GLN . . . -55.77 -28.94 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -66.27 -27.09 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -60.48 -56.3 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' NE2' ' SD ' ' A' ' 39' ' ' MET . 7.3 pt20 -56.92 -30.18 63.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 2.7 t80 -56.88 -53.4 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.819 HD11 HD13 ' A' ' 74' ' ' LEU . 11.0 mt -58.54 -22.28 55.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -58.64 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 2.3 mt -73.21 -48.48 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.878 ' HA ' HG21 ' A' ' 30' ' ' VAL . 24.7 t80 -48.07 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 19' ' ' TYR . 7.2 mt -70.65 -7.67 46.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.47 13.46 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.762 HG21 HG23 ' A' ' 66' ' ' VAL . 2.9 m -70.69 155.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -13.03 52.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.73 117.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.762 HG23 HG21 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -96.31 147.87 33.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.97 137.4 21.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -35.79 78.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -52.71 -46.96 67.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.59 ' HG ' HD12 ' A' ' 74' ' ' LEU . 3.7 tp -74.28 -40.43 62.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.5 m -56.58 -35.99 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.99 -49.14 71.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.35 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.819 HD13 HD11 ' A' ' 57' ' ' LEU . 5.4 mt -56.48 -43.85 80.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -72.14 -39.44 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -57.36 -20.96 32.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.5 p -48.6 -39.55 24.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.774 ' CD2' HG13 ' A' ' 94' ' ' VAL . 59.8 t80 -118.09 -70.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 80' ' ' THR . 32.7 tt0 67.71 154.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLU . 2.5 p -52.89 -103.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -142.02 123.79 2.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -94.45 142.58 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 109.562 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.52 155.06 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 108.304 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.61 46.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -145.63 179.35 7.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -129.54 106.16 8.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 87' ' ' THR . 69.4 m -118.14 46.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.441 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.7 t30 50.71 60.28 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.52 87.39 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -122.72 -3.46 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -94.78 82.19 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -68.81 91.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.707 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 22.2 m -128.9 168.33 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.774 HG13 ' CD2' ' A' ' 78' ' ' PHE . 84.4 t -142.41 152.2 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.35 135.6 40.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 108.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.58 -25.1 49.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -74.96 -39.14 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' OD2' ' CE1' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -64.03 -42.24 97.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.592 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 58.5 t -67.0 -28.06 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.658 ' HB3' HD11 ' A' ' 31' ' ' LEU . 10.3 p -70.85 -35.21 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 t -77.09 -43.36 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.488 ' OH ' HD13 ' A' ' 8' ' ' ILE . 49.0 t80 -56.18 -51.76 66.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.592 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 5.8 m-85 -63.32 -41.36 98.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.0 t -58.91 -31.58 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 105' ' ' LEU . 2.3 tm? -65.54 -42.1 92.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -44.97 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.2 -11.36 39.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.31 -32.68 15.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.5 -100.51 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 143.73 82.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 154.74 43.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 113' ' ' ASP . 2.2 pm0 -86.79 -34.82 19.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 26.9 t70 58.93 43.83 17.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 -172.59 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' C ' ' CG ' ' A' ' 116' ' ' GLU . 4.1 mt -54.41 175.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' CG ' ' C ' ' A' ' 115' ' ' LEU . 1.2 mt-10 -152.8 131.27 12.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -106.23 -112.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' ALA . 25.0 ptp . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.49 0.186 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 38.85 33.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -175.2 -127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' HD11 ' A' ' 7' ' ' LEU . 3.1 tt0 173.93 -154.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 126.04 25.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.66 95.88 0.69 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.548 HD11 ' O ' ' A' ' 4' ' ' GLU . 4.8 mp -121.34 -168.15 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.3 pt -42.88 114.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -49.79 178.61 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.98 -2.12 12.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -46.56 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 73' ' ' ALA . 3.3 m-20 -74.97 -40.05 60.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.66 -46.06 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . -59.21 -43.04 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.574 ' HG3' ' CD2' ' A' ' 19' ' ' TYR . 4.2 tp-100 -62.92 -50.38 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.794 HD11 HD21 ' A' ' 74' ' ' LEU . 5.6 mt -63.62 -43.23 97.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.51 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -42.44 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.851 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.7 m-85 -72.05 -53.51 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -60.62 -21.44 62.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -53.5 57.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -22.84 67.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 118.37 29.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -118.44 14.77 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -178.96 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -105.19 142.96 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.668 HG23 ' HZ ' ' A' ' 56' ' ' PHE . 12.4 p -72.79 -27.14 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.8 p -68.19 -22.69 64.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -73.21 -47.92 39.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 59' ' ' ILE . 93.0 t -66.99 -30.29 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -59.37 -52.66 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -58.23 -29.83 66.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.3 mt -65.82 -33.16 75.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.537 ' CB ' HD21 ' A' ' 96' ' ' LEU . 4.9 m-85 -79.47 -10.68 59.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -104.51 -45.16 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 7.4 t0 -114.27 -34.64 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.563 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -52.86 -171.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.48 -30.77 57.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 tpp -64.23 -9.04 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.66 -2.37 29.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -20.14 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.07 24.87 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -108.03 130.96 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.67 130.12 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 46' ' ' ASP . . . 54.17 23.89 26.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 45' ' ' GLY . 4.3 t70 82.89 -5.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.76 155.55 16.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 11.7 pt -96.62 159.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -111.86 -171.22 18.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 13.5 t80 -55.7 -57.76 10.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 0.729 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -64.06 -39.72 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.43 -24.85 66.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -76.19 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 50' ' ' TYR . 2.2 pm0 -64.6 -28.72 69.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -62.99 -32.66 74.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.731 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 42.1 t80 -64.5 -47.13 80.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 74' ' ' LEU . 2.4 mp -54.5 -22.22 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -68.33 -59.2 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.585 HG22 HG22 ' A' ' 30' ' ' VAL . 77.7 mt -73.13 -48.03 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 14.7 t80 -44.16 -69.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -74.71 -25.74 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER 83.28 12.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.492 HG21 HG23 ' A' ' 66' ' ' VAL . 5.7 m -66.47 165.8 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.33 -5.08 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.39 117.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.688 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -102.5 147.62 34.28 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.688 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.05 113.76 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ttm105 -51.82 -26.23 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -59.16 -43.26 92.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.7 tp -71.62 -45.18 62.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -27.01 54.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 72' ' ' LEU . 6.5 tp -72.42 -47.1 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -72.56 -36.66 68.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.831 ' CD1' HD21 ' A' ' 57' ' ' LEU . 4.3 mt -52.74 -47.51 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.598 ' CD2' ' OE1' ' A' ' 79' ' ' GLU . 3.3 t80 -58.99 -45.34 90.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -52.85 -31.88 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.566 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.7 t -57.45 -61.07 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 77' ' ' SER . 1.0 OUTLIER -127.88 143.28 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.598 ' OE1' ' CD2' ' A' ' 75' ' ' PHE . 2.1 tt0 -155.81 -175.61 5.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.527 HG22 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER 176.15 133.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.728 ' HA3' HG11 ' A' ' 89' ' ' VAL . . . 128.29 95.89 0.85 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.64 -53.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.562 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 t 56.45 19.5 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 45.21 42.54 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 86' ' ' GLU . 2.0 t-20 -167.28 47.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 85' ' ' ASN . 2.5 pt-20 34.26 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 87' ' ' THR . 31.9 m -95.26 40.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' THR . 61.3 t30 40.54 44.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.728 HG11 ' HA3' ' A' ' 81' ' ' GLY . 3.2 t -98.17 40.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.4 p -50.98 -27.92 8.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.9 ' O ' HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -105.52 82.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.98 114.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.9 HG13 ' O ' ' A' ' 91' ' ' LYS . 23.5 m -123.74 172.98 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.447 ' CG2' ' CE1' ' A' ' 75' ' ' PHE . 93.5 t -140.65 151.4 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.5 t -76.15 144.24 40.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.262 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.537 HD21 ' CB ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -70.74 -43.26 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.96 -35.68 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.73 -46.89 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' CD2' ' A' ' 103' ' ' PHE . 61.7 t -68.81 -29.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 31' ' ' LEU . 38.7 t -73.82 -27.46 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.05 -49.44 15.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 108.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -54.41 -56.67 16.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.776 ' CE1' ' CE2' ' A' ' 60' ' ' TYR . 12.2 m-85 -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.7 t -59.18 -31.35 68.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' GLY . 2.9 mm? -74.48 -44.47 51.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -57.75 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -53.51 -48.57 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.65 52.92 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' LEU . . . -92.85 48.73 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 119.37 49.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.41 42.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -19.76 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.62 107.23 3.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.793 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -55.13 156.93 3.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.402 ' CG ' ' C ' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -152.26 131.76 13.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -101.99 -1.17 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 107.986 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' ALA . 77.8 mtp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.498 0.19 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 39.49 40.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -119.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 175.06 142.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.97 116.55 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.432 ' C ' HD22 ' A' ' 7' ' ' LEU . . . 72.55 108.38 0.06 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.756 ' N ' HD22 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -99.34 -164.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' A' ' 12' ' ' ASP . 20.3 pt -91.5 20.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER 52.97 172.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.25 -51.16 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.632 ' OD2' HD12 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -75.72 -35.16 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 106' ' ' LEU . 0.7 OUTLIER -61.59 -34.29 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -52.27 46.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 1.5 tp60 -52.27 -55.82 18.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD13 HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -51.71 -43.67 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -58.13 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -50.92 45.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.809 ' HB3' HD22 ' A' ' 61' ' ' LEU . 3.7 m-85 -60.3 -42.5 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.7 ttm -65.13 -48.23 74.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.5 -53.14 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -52.85 -39.59 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -77.96 175.72 9.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 24' ' ' THR . 1.5 t -144.06 17.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -88.78 -176.82 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.67 143.32 47.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.6 -36.98 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -24.57 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -44.03 38.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.913 HG21 ' HA ' ' A' ' 60' ' ' TYR . 88.3 t -74.93 -26.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -52.2 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -27.5 64.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 13.2 mt -69.51 -39.31 77.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.751 ' CZ ' ' HE2' ' A' ' 39' ' ' MET . 2.5 m-85 -81.59 -13.08 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -86.46 -51.16 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -121.76 -33.8 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -53.99 162.83 3.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -50.91 -21.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.751 ' HE2' ' CZ ' ' A' ' 34' ' ' PHE . 88.4 mmm -71.18 -3.94 22.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.15 -2.56 52.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -74.91 -18.08 60.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.175 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -112.4 43.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -137.45 131.88 44.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -102.8 79.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.52 -100.12 1.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -116.8 15.27 15.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.716 ' HB1' ' HB ' ' A' ' 93' ' ' VAL . . . -132.24 139.45 48.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.695 HD11 ' HA3' ' A' ' 52' ' ' GLY . 7.6 tt -112.91 157.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.6 -171.17 42.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -68.94 -47.0 66.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -49.55 -55.58 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.695 ' HA3' HD11 ' A' ' 48' ' ' ILE . . . -56.53 -24.81 48.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.637 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -78.33 -55.11 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 1.3 pp0? -70.41 -34.45 72.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.484 ' OE1' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -75.3 -22.32 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.755 ' CZ ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -69.59 -39.03 77.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.047 HD21 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.61 -22.25 12.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 4.8 tptp -67.9 -59.46 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.665 ' H ' HD12 ' A' ' 59' ' ' ILE . 3.2 mp -73.57 -47.89 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.913 ' HA ' HG21 ' A' ' 30' ' ' VAL . 6.7 t80 -40.38 -73.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.809 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.2 mp -76.78 -16.82 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 2.3 tm-20 77.41 12.91 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.576 HG21 HG23 ' A' ' 66' ' ' VAL . 5.8 m -67.22 168.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' C ' ' ND2' ' A' ' 65' ' ' ASN . 2.2 m-20 -115.65 -5.93 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -162.57 104.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.624 HG22 ' HD2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -101.12 147.19 33.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.624 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.2 Cg_endo -75.07 125.25 9.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.93 -30.21 65.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -58.01 -41.48 83.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.603 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.632 HD12 ' OD2' ' A' ' 12' ' ' ASP . 3.6 tp -74.47 -41.79 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 t -56.72 -51.81 67.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD13 HE21 ' A' ' 76' ' ' GLN . 0.2 OUTLIER -57.24 -49.5 75.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.44 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . . . -62.89 -34.37 77.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.047 ' CD1' HD21 ' A' ' 57' ' ' LEU . 7.0 mt -66.09 -36.35 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.15 -54.09 12.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.479 HE21 HD13 ' A' ' 72' ' ' LEU . 52.0 mm-40 -52.91 -34.84 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -44.87 -50.83 10.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -112.3 165.3 12.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 172.67 151.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -108.67 -129.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.446 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' HIS . . . -80.36 -163.19 28.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' GLY . 1.0 OUTLIER 39.65 84.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.593 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.67 -152.67 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 108.285 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 84' ' ' LEU . 1.8 mm? 61.09 42.75 12.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 m120 45.64 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.756 ' O ' HG22 ' A' ' 87' ' ' THR . 0.5 OUTLIER -118.05 24.86 10.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 86' ' ' GLU . 13.8 t 50.91 20.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -132.01 42.36 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.3 t -86.11 95.79 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.4 t -169.96 -38.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.76 100.48 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.11 133.59 12.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.716 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 8.2 m -117.92 173.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.15 153.98 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.99 138.35 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.36 -34.47 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -65.16 -31.58 72.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -49.77 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.609 HG12 ' CD2' ' A' ' 103' ' ' PHE . 95.4 t -65.46 -33.83 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -64.09 -25.12 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.54 -54.42 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.53 -53.94 47.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.609 ' CD2' HG12 ' A' ' 99' ' ' VAL . 2.8 m-85 -61.32 -34.8 75.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -59.71 -33.19 71.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -51.27 35.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 1.3 mp -52.61 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.55 -33.9 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.39 -67.54 2.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 162.07 70.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -113.47 96.25 39.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.43 42.88 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.464 1.771 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 113' ' ' ASP . 1.1 pm0 -91.84 -35.1 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 112' ' ' GLU . 17.1 t70 58.14 41.88 23.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -78.96 178.89 7.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.95 177.69 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.02 130.23 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -123.45 -112.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 108.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 2' ' ' ALA . 23.3 mtm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.52 0.2 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 40.3 40.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.63 -128.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -177.89 -151.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -131.57 44.85 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -176.36 -107.48 0.21 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 76' ' ' GLN . 0.3 OUTLIER 56.19 -145.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.282 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -79.86 160.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.5 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 0.6 OUTLIER 162.87 -51.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -97.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.23 -42.9 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' CB ' ' HB ' ' A' ' 8' ' ' ILE . 1.1 m-20 -50.28 -36.57 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' HB2' ' CA ' ' A' ' 9' ' ' SER . 12.7 t80 -77.54 -38.79 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.7 -48.15 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -51.48 -54.15 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.056 HD11 HD21 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -55.42 -54.73 40.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -54.97 -52.74 62.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 18.9 tttt -58.18 -52.17 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.783 ' HB3' HD22 ' A' ' 61' ' ' LEU . 1.7 m-85 -48.43 -31.22 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' SER . 2.3 tpp -77.52 -29.32 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -45.18 -35.12 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -89.46 -23.41 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 0.3 OUTLIER -75.42 116.08 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.8 p -107.9 11.17 28.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.83 170.72 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -104.79 146.16 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.82 -29.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -65.22 -28.06 69.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -72.56 -44.45 62.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 59' ' ' ILE . 80.0 t -68.7 -24.86 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 100' ' ' SER . 0.1 OUTLIER -60.46 -52.04 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.232 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -58.83 -33.97 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 6.7 mt -57.58 -44.04 85.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.496 ' CE1' ' HE2' ' A' ' 39' ' ' MET . 13.9 m-85 -81.8 -13.82 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 2.9 mm-40 -84.41 -57.8 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.1 -32.38 5.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -57.65 156.68 16.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -25.18 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.496 ' HE2' ' CE1' ' A' ' 34' ' ' PHE . 68.6 mmm -63.4 -11.23 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PHE . . . -80.67 -2.59 47.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -9.81 48.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CD2' ' OE1' ' A' ' 55' ' ' GLN . 36.1 m-85 -123.5 41.47 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.6 t -131.36 127.74 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -121.75 134.48 54.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.71 34.28 36.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.21 18.52 6.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -125.06 164.11 20.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 4.6 tt -131.85 151.54 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.7 175.06 33.8 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -57.36 -46.9 82.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -52.6 -53.14 50.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.0 -27.95 47.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -26.96 66.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.34 -61.11 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.582 ' OE1' ' CD2' ' A' ' 42' ' ' TYR . 10.3 pt20 -60.93 -28.59 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 8.6 t80 -56.75 -53.11 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.834 ' HB3' HG21 ' A' ' 66' ' ' VAL . 11.5 mt -54.64 -22.22 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -57.83 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.631 HG22 HG22 ' A' ' 30' ' ' VAL . 13.0 mt -76.35 -47.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' OH ' ' CD1' ' A' ' 103' ' ' PHE . 3.5 t80 -49.13 -62.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.025 HD11 HD23 ' A' ' 16' ' ' LEU . 11.3 mt -86.37 11.44 12.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 39.26 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.689 HG21 HG23 ' A' ' 66' ' ' VAL . 2.7 m -86.41 153.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 14.8 p-10 -85.06 -10.67 56.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -174.93 117.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -99.37 147.29 33.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.681 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -75.0 132.28 15.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.39 -36.22 83.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -53.2 -41.41 65.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.634 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 74' ' ' LEU . 2.8 tp -75.01 -44.61 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 m -56.67 -23.82 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.25 -48.43 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.22 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 16' ' ' LEU . 4.0 mt -53.06 -45.02 67.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.81 -48.81 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 32.2 mt-30 -58.66 -27.6 64.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -45.82 -28.84 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -146.96 -67.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 48.21 95.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.12 -21.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.454 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.74 -69.47 1.33 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 70.29 170.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.614 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.44 ' O ' HD22 ' A' ' 84' ' ' LEU . 0.5 OUTLIER 67.04 132.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.346 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.44 HD22 ' O ' ' A' ' 83' ' ' CYS . 2.5 mm? -122.82 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -138.19 85.32 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 85' ' ' ASN . 3.4 mm-40 34.1 88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 87' ' ' THR . 0.6 OUTLIER -118.28 24.93 10.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.6 t30 59.2 75.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.425 HG22 HG22 ' A' ' 87' ' ' THR . 0.0 OUTLIER -109.4 89.97 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.7 t -108.5 -7.46 15.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -162.14 74.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.1 111.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 48' ' ' ILE . 7.0 m -132.81 151.39 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.36 153.55 34.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.11 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -32.8 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.0 -38.05 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.89 -42.19 85.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.617 ' CG1' ' CE2' ' A' ' 103' ' ' PHE . 10.3 t -67.3 -28.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.669 ' HB2' HD11 ' A' ' 31' ' ' LEU . 15.6 t -67.21 -31.38 71.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -38.95 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 108.254 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.88 -56.9 13.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.617 ' CE2' ' CG1' ' A' ' 99' ' ' VAL . 9.3 m-85 -62.45 -27.2 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 t -60.03 -30.15 68.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.642 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -74.91 -36.89 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.353 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.33 -62.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -60.74 -33.05 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.25 45.57 1.3 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -90.76 52.52 3.31 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 110.63 2.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 0.0 110.364 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.452 ' HG2' ' CG ' ' A' ' 114' ' ' LYS . 18.3 Cg_endo -75.0 159.68 41.05 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -95.81 -18.9 20.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.56 103.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.452 ' CG ' ' HG2' ' A' ' 111' ' ' PRO . 4.2 mtmp? -82.63 153.39 25.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.99 177.55 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.2 127.51 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -108.05 73.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 107.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.515 0.198 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.33 74.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.24 -125.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.54 ' HA ' HD11 ' A' ' 7' ' ' LEU . 1.8 tt0 61.07 142.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 0.7 OUTLIER 50.06 98.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.337 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.54 -3.98 6.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.577 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -101.18 -169.52 1.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' LEU . 31.6 pt -39.12 111.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -47.86 175.61 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.04 -2.69 12.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -79.73 -46.19 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.74 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.68 -37.14 67.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.83 81.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.586 ' CD ' ' CE2' ' A' ' 19' ' ' TYR . 3.1 tp-100 -71.34 -51.99 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.568 ' CD2' HD21 ' A' ' 61' ' ' LEU . 1.4 mt -51.6 -41.83 61.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -58.84 -56.34 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -48.91 -46.18 42.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.68 ' HB3' HD22 ' A' ' 61' ' ' LEU . 5.5 m-85 -63.82 -42.36 97.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.447 ' HE1' ' HB3' ' A' ' 106' ' ' LEU . 38.6 ttm -68.43 -40.56 81.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -47.39 -48.06 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.17 -41.97 94.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.82 159.12 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 24' ' ' THR . 1.3 t -147.41 18.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.12 -178.87 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 30' ' ' VAL . 12.3 mttm -104.6 146.43 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.35 -35.17 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -72.88 -27.14 61.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -75.5 -40.43 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.628 HG11 ' N ' ' A' ' 60' ' ' TYR . 98.6 t -73.2 -34.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 33.3 mt -70.43 -27.69 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -17.47 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 9.4 mt -78.85 -39.7 34.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 39' ' ' MET . 3.4 m-85 -81.55 -14.46 56.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.97 -57.84 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.71 -32.34 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -55.69 164.66 4.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -54.14 -25.7 23.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 63.9 mmm -61.99 -13.08 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.27 -2.56 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -13.15 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -111.67 2.42 17.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 47' ' ' ALA . 2.2 t -94.41 140.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -108.99 80.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.18 -95.12 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.64 -8.05 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 43' ' ' VAL . . . -105.19 174.09 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.813 ' HB ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -145.25 155.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' N ' HD13 ' A' ' 48' ' ' ILE . . . -75.03 176.84 49.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -81.2 -52.0 7.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -43.98 79.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.76 -39.48 67.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.641 ' HZ ' HG21 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -55.53 -27.67 50.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.7 -33.1 74.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.48 -37.92 68.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' CE2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t80 -57.38 -46.16 83.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.797 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.1 mt -58.91 -22.12 58.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' O ' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -70.04 -59.63 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' CG2' HG13 ' A' ' 30' ' ' VAL . 30.9 mt -72.03 -46.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' N ' HG11 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -39.51 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -82.21 -4.9 57.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.462 ' CA ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 69.68 6.32 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.66 HG21 HG23 ' A' ' 66' ' ' VAL . 1.7 m -54.64 143.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.72 -11.03 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.14 116.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.797 HG21 ' HB3' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -91.81 147.5 35.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.653 ' HD2' HG22 ' A' ' 66' ' ' VAL . 18.3 Cg_endo -74.93 133.05 16.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -62.37 -34.91 77.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -53.22 -45.51 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.578 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HD12 ' A' ' 74' ' ' LEU . 3.9 tp -72.64 -37.66 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -39.58 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' HG ' ' NE2' ' A' ' 76' ' ' GLN . 7.0 tp -68.73 -49.23 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB1' HG22 ' A' ' 8' ' ' ILE . . . -62.84 -28.29 69.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' A' ' 57' ' ' LEU . 8.8 mt -73.02 -37.23 67.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -72.69 -55.12 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.402 ' NE2' ' HG ' ' A' ' 72' ' ' LEU . 3.2 pt20 -57.57 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.5 t -47.6 -54.84 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 94' ' ' VAL . 2.4 p90 -126.34 137.65 53.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.751 ' C ' HG23 ' A' ' 80' ' ' THR . 36.0 tt0 -149.94 70.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.751 HG23 ' C ' ' A' ' 79' ' ' GLU . 1.2 p 69.72 -49.16 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 166.86 -85.62 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.32 165.0 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.641 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.51 133.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 84' ' ' LEU . 2.4 mm? -104.31 41.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -166.33 165.95 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ASN . 7.9 mt-10 -109.92 26.86 10.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 89' ' ' VAL . 3.1 p -64.04 74.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' GLU . 51.4 t30 54.22 40.61 31.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 87' ' ' THR . 2.0 t -92.8 38.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 14.4 t -100.87 134.56 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 90' ' ' THR . 10.9 mtpt 164.32 91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.37 65.82 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.468 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -139.11 159.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 78' ' ' PHE . 59.8 t -150.85 146.48 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.1 t -75.88 120.08 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.813 HD12 ' HB ' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -75.2 -15.18 60.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.582 ' N ' HD22 ' A' ' 96' ' ' LEU . 5.1 t-20 -76.79 -47.44 21.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -60.49 -31.83 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 95' ' ' CYS . 22.1 t -73.87 -32.43 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 21.3 t -62.04 -22.9 66.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.974 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.08 -55.09 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -53.74 -50.05 66.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.652 ' CE2' HG12 ' A' ' 99' ' ' VAL . 5.3 m-85 -61.54 -37.87 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -58.97 -30.18 67.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -42.61 57.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.447 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 0.3 OUTLIER -49.51 -59.02 4.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.33 -32.32 64.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.97 -31.47 72.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -103.03 53.55 0.74 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 149.72 93.19 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 153.87 41.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -38.5 -39.58 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -159.47 118.3 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -54.78 174.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.12 176.69 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.09 130.04 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -107.56 72.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 107.988 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.998 . . . . . . . . 0 0 . 1 stop_ save_